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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 Number55-86-7
PubChem CID5935
IUPAC Name2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride
Molecular FormulaC5H12Cl3N
Molecular Weight192.5
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity43
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
2D structure of Nitrogen mustard hydrochloride
CAS: 55-86-7
CID: 5935
Formula: C5H12Cl3N
MW: 192.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass191.003532
Monoisotopic Mass191.003532
Topological Polar Surface Area3.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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