Cyclophosphamide Impurity 2

CAT: 1596-AR-C05485-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05485-02Size:25 Units

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CAS Number

2576-29-6

Synonyms

2- ((2-Chloroethyl) amino) ethan-1-ol hydrochloride

Molecular Formula

C4H10ClNO : HCl

Molecular Weight

123.6 : 36.5

API Name

Cyclophosphamide

Chemical Information

2-((2-Chloroethyl)amino)ethanol hydrochloride

CAS Number	2576-29-6
PubChem CID	24188197
IUPAC Name	2-(2-chloroethylamino)ethanol;hydrochloride
Molecular Formula	C4H11Cl2NO
Molecular Weight	160.04
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	34

SMILES

C(CO)NCCCl.Cl

InChI

InChI=1S/C4H10ClNO.ClH/c5-1-2-6-3-4-7;/h6-7H,1-4H2;1H

InChIKey

HFPDWZDOAAAUSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2576-29-6

CID: 24188197

Formula: C4H11Cl2NO

MW: 160.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.04
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	159.0217694
Monoisotopic Mass	159.0217694
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	34.9
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-C03818-01	Cyclophosphamide Impurity 3
AR-C05483-01	Cyclophosphamide Impurity 7
AR-C08663-01	Cyclophosphamide Impurity 24
AR-C03806-01	Cyclophosphamide Impurity B
AR-C03822-01	Cyclophosphamide Monochloro Impurity
AR-C03825-01	Cyclophosphamide Impurity 10
AR-C03819-01	Cyclophosphamide Impurity 4
AR-C03808-01	Cyclophosphamide Impurity D
AR-C03807-01	Cyclophosphamide Impurity C
AR-C05487-01	Cyclophosphamide Impurity 6