Dimethylcarbamoyl Chloride
An amide, C3H6ClNO, 107.54 g/mol. Boiling point 167 °C, melting point -33 °C, as published.
Identifiers
- Molecular formula
- C₃H₆ClNO
- Molecular weight
- 107.54 g/mol
- Exact mass
- 107.013791 g/mol
- IUPAC name
- N,N-dimethylcarbamoyl chloride
- CN(C)C(=O)Cl
- InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
- YIIMEMSDCNDGTB-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 329 to 333 °F at 760 mmHg (NTP, 1992)
- 167 °C
- Melting Point
- -27 °F (NTP, 1992)
- -33 °C
- Density
- 1.168 at 68 °F (USCG, 1999) - Denser than water; will sink
- 1.168 g/cu cm @ 25 °C
- Solubility
- Decomposes (NTP, 1992)
- Reacts
- Vapor Pressure
- 1.95 [mmHg]
- 1.95 mm Hg @ 25 °C
- Flash Point
- 155 °F (NTP, 1992)
- Flash point: not available
Calculated properties
- Molecular weight
- 107.54 g/mol
- Exact mass
- 107.0137915 Da
- XLogP3
- 0.8
- Polar surface area
- 20.3 Ų
- Complexity
- 61
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- 0.9068
- Topological polar surface area
- 20.31 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 24.936 cm³/mol
- Fraction sp³ carbons
- 0.6667
- QED drug-likeness
- 0.3329
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 6
- Total atoms, hydrogen included
- 12
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Amide
Halide (C–X)
The molecule in three dimensions
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
Other names for it
The systematic name on this record is N,N-dimethylcarbamoyl chloride.
The sources also call it Dimethylcarbamyl chloride, N,N-Dimethylcarbamoyl chloride, Dimethylcarbamic chloride, Carbamic chloride, dimethyl-, Dimethylcarbamic acid chloride, Carbamoyl chloride, dimethyl-, DMCC, Dimethylchloroformamide, Dimethyl carbamoyl chloride, (Dimethylamino)carbonyl chloride, N,N-Dimethylcarbamyl chloride.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Dimethylcarbamoyl Chloride. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(4-nitrophenyl)methyl N-[1-[[4-(dimethylcarbamoylamino)-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
formed as a product
C₃₁H₄₁N₅O₅, 563.699 g/mol.
(8-(4-Chlorophenylsulfonyl)-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl)methanol
used as a reactant
C₁₆H₂₂ClNO₅S, 375.874 g/mol.
(8-(4-Chlorophenylsulfonyl)-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl)methyl dimethylcarbamate
formed as a product
C₁₉H₂₇ClN₂O₆S, 446.953 g/mol.
1,1-Dimethyl-3-(5-phenyl-3-isothiazolyl)urea
formed as a product
C₁₂H₁₃N₃OS, 247.323 g/mol.
Where these values came from
chemistry engine
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.
Where to next
More molecules under D
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C3H6ClNO in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Dimethylcarbamoyl Chloride for a volume and a concentration, or the concentration a mass gives.
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