Chlormethine hydrochloride

CAT: 0862-GP9664-1gSize: 1 gDry Ice: NoHazardous: Yes

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CAT#:0862-GP9664-1gSize:1 g

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CAS Number

55-86-7

EC Number

200-246-0

UN Code

2923

MDL Number

MFCD00012517

HS Code

29211999

Purity

97.50%

Molecular Formula

C5H11Cl2N · HCl

Molecular Weight

192.52

Storage Conditions

+4°C

Hazardous Class

True

Chemical Information

Nitrogen mustard hydrochloride

Nitrogen Mustard Hydrochloride (Mechlorethamine Hydrochloride) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	55-86-7
PubChem CID	5935
IUPAC Name	2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride
Molecular Formula	C5H12Cl3N
Molecular Weight	192.5
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	43

SMILES

CN(CCCl)CCCl.Cl

InChI

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

InChIKey

QZIQJVCYUQZDIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55-86-7

CID: 5935

Formula: C5H12Cl3N

MW: 192.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	192.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	191.003532
Monoisotopic Mass	191.003532
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Chlormethine hydrochloride

Chemical Information

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