Chlormethine

C₅H₁₁Cl₂NCAS 51-75-2156.05 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₅H₁₁Cl₂N
Molar mass: 156.05 g/mol
Exact mass: 155.0269 Da
Density: 1.118 g/mL (at 25 °C)
Melting point: −60 °C
Boiling point: 87 °C (at 18 Torr)
pKa: 6.43 (conjugate acid, 25 °C)
Water solubility: miscible
logP: 1.40Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H330 Fatal if inhaledAcute toxicity, inhalation
H340 May cause genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity
H371 May cause damage to organsSpecific target organ toxicity, single exposure

NITE-CMC, via PubChem.

Precautionary statements

P203, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

51-75-2

SMILES

CN(CCCl)CCCl

InChIKey

HAWPXGHAZFHHAD-UHFFFAOYSA-N

InChI

InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

29 names · show all

Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-
Diethylamine, 2,2′-dichloro-N-methyl-
2-Chloro-N-(2-chloroethyl)-N-methylethanamine
N,N-Bis(2-chloroethyl)methylamine
Bis(β-chloroethyl)methylamine
Bis(2-chloroethyl)methylamine
Di(2-chloroethyl)methylamine
2,2′-Dichloro-N-methyldiethylamine
HN2 (amine)
MBA
Mechlorethamine
Methylbis(β-chloroethyl)amine
N-Methyl-2,2′-dichlorodiethylamine
Methyldi(2-chloroethyl)amine
Mustargen
Mustine
N-Methylbis(2-chloroethyl)amine
Methylbis(2-chloroethyl)amine
N-Methylbis(β-chloroethyl)amine
N,N-Di(chloroethyl)methylamine
Cloramin
Chlorethazine
HN2
Methyl-β,β-dichlorodiethylamine
Mustine note
Nitrogen mustard (HN 2)
NSC 128663
Valchlor
Ledaga

Work with Chlormethine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nitrogen mustard55-86-7Salt

Similar compounds

2-(Dimethylamino)ethyl chloride107-99-356 % similar 1-(3-Chloropropyl)-4-methylpiperazine104-16-555 % similar 1,4-Dimethylpiperazine106-58-153 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-448 % similar Dimethylaminoethyl chloride hydrochloride4584-46-748 % similar 1-Methylpyrrolidine120-94-547 % similar 1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane41203-22-944 % similar N-Methylpiperidine626-67-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloropiperidine hydrochloride5382-19-4

Elsewhere

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