Diisobutylamine

A secondary amine, C8H19N, 129.247 g/mol. Boiling point 139.6 °C, melting point -73.5 °C, as published.

verified recordOrganic — secondary amine8 measured properties

Identifiers

Molecular formula: C₈H₁₉N
Molecular weight: 129.247 g/mol
Exact mass: 129.15175 g/mol
SMILES: CC(C)CNCC(C)C
InChI: InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKey: NJBCRXCAPCODGX-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: 282 to 284 °F at 760 mmHg (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 139.6 °Cmeasured · Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-269; 139 °Cmeasured · reference compound database; 139 °C @760 [mm Hg]measured · reference compound database
Melting Point: -100.3 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; -73.5 °Cmeasured · Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-269; -74 °Cmeasured · reference compound database; -70 °Cmeasured · reference compound database
Flash Point: 85 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 29 °C (85 °F) (CLOSED CUP)measured · Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-40; 29 °C c.c.measured · reference compound database
Solubility: Slightly soluble (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; Sol in ethanol, ether, acetone, benzenemeasured · Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-269; In water, 2,200 mg/l @ 25 °C.measured · Chemicals Inspection and Testing Institute; Biodegradation and bioaccumulation data of existing chemicals based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992); Solubility in water, g/100ml at 25 °C: 0.22 (slightly soluble)measured · reference compound database
Density: 0.745 at 68 °F (USCG, 1999) - Less dense than water; will floatmeasured · U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.; 0.745 @ 20 °Cmeasured · Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 405; Relative density (water = 1): 0.75 (20 °C)measured · reference compound database; 0.745 @ 20°Cmeasured · reference compound database
Vapor Pressure: 10 mmHg at 97 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 7.27 [mmHg]measured · reference compound database; 7.27 mm Hg @ 25 °Cmeasured · Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994); Vapor pressure, kPa at 25 °C: 0.97measured · reference compound database; 7.27 [mm Hg] @25 °Cmeasured · reference compound database
LogP: 2.63measured · reference compound database; 2.67measured · reference compound database
Refractive Index: Index of refraction: 1.4090 @ 20 °C/D; Sadtler reference number: 2246 (IR, Prism)measured · Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-269

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

logP: 1.888calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 12.03 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 1calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 1calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 4calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 42.5457 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.6109calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon8 atoms · 74.3% by mass
H Hydrogen19 atoms · 14.8% by mass
N Nitrogen1 atom · 10.8% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 9
Total atoms, hydrogen included: 28
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Secondary amine
Nitrogen bonded to two carbons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Diisobutylamine yet.

Other names for it

No systematic name is recorded.

The sources also call it bis(2-methylpropyl)amine, Amine, diisobutyl-, 1-Propanamine, 2-methyl-N-(2-methylpropyl)-, di-isobutylamine, N,N-BIS(2-METHYLPROPYL)AMINE, Di(-2-methylpropyl)amine, CCRIS 6232, DI-ISO-BUTYLAMINE, N-isobutyl-2-methylpropan-1-amine, N,N-BIS(2-METHYLPROPYL)AMINE [HSDB], DIISOBUTYLAMINE, (FLAMMABLE LIQUID), DIISOBUTYLAMINE, [FLAMMABLE LIQUID].

Structurally related

Nothing structurally close to Diisobutylamine has a page here yet.

Where these values came from

chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.