Bis (2-chloroethyl) amine

CAT: 0127-OR1007624Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1007624Size:5 g

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CAS Number

334-22-5

Purity

96%

Smiles

ClCCNCCCl

Chemical Information

Bis(2-chloroethyl)amine

Bis(2-chloroethyl)amine is a nitrogen mustard.

CAS Number	334-22-5
PubChem CID	9533
IUPAC Name	2-chloro-N-(2-chloroethyl)ethanamine
Molecular Formula	C4H9Cl2N
Molecular Weight	142.02
XLogP	1
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	28

SMILES

C(CCl)NCCCl

InChI

InChI=1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2

InChIKey

TXFLGZOGNOOEFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334-22-5

CID: 9533

Formula: C4H9Cl2N

MW: 142.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.02
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	141.0112047
Monoisotopic Mass	141.0112047
Topological Polar Surface Area	12 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	28.9
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	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1069853-01	N, N-Bis (2-chloroethyl) propan-1-amine
OR1078211	Bis (2-chloroethyl) Carbonate
OR1058927	N, N-Bis (2-chloroethyl) propan-1-amine hydrochloride
OR1071092-01	N, N-Bis (2-chloroethyl) prop-2-yn-1-amine
OR91980-01	4- (Bis (2-chloroethyl) amino) benzaldehyde
OR1051393-01	4-[Bis (2-chloroethyl) amino]benzonitrile
OR75127-01	Benzyl bis (2-chloroethyl) carbamate
OR1012418-01	Bis (2-Chloroethyl) Carbamic Chloride
OR1100228-01	N, N-Bis (2-chloroethyl) prop-2-yn-1-amine hydrochloride
OR1047306-01	1,2-Bis (2-chloroethyl) disulfane

Catalog	Name
FN177946-01	Nitrosobis (2-chloroethyl) amine
502004	BIS(2‐CHLOROETHYL)AMINE HYDROCHLORIDE
264504-01	Bis (2-chloroethyl) amine hydrochloride
TRC-B418800-1G	Bis(2-chloroethyl)amine Hydrochloride
EAA53587-01	(2-Chloroethyl) (ethyl) amine hydrochloride
HY-Y0881-01	Bis (2-chloroethyl) amine (hydrochloride)
CCA80193-01	(2-Chloroethyl) (2-chloropropyl) amine hydrochloride
TRC-B418802-10MG	Bis(2-chloroethyl)amine-d4 Hydrochloride
TRC-N754360-250MG	N-Nitroso Bis(2-chloroethyl)amine
TRC-C364930-100MG	(2-Chloroethyl)(3-chloropropyl)amine Hydrochloride