Glycinonitrile, N,N'-ethylenebis(N-(2-chloroethyl)-, hydrochloride

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Basic information

CAS: 94406-55-0
Standard SMILES: N#CCN(CCCl)CC[NH+](CC#N)CCCl.[Cl-]
InChIKey: CNSMXHBLDKTLEW-UHFFFAOYSA-N
Molecular formula: C10H17Cl3N4
Average molar mass: 299.6 g/mol
Monoisotopic mass: 298.05188

Names & identifiers

Preferred name: Glycinonitrile, N,N'-ethylenebis(N-(2-chloroethyl)-, hydrochloride
IUPAC: 2-chloroethyl-[2-[2-chloroethyl(cyanomethyl)amino]ethyl]-(cyanomethyl)azanium chloride

Names & synonyms

GLYCINONITRILE, N,N'-ETHYLENEBIS(N-(2-CHLOROETHYL)-, HYDROCHLORIDE94406-55-0RefChem:1086074N,N'-Ethylenebis(N-(2-chloroethyl)glycinonitrile) hydrochlorideN,N'-Bis(2-chloroethyl)-N,N'-bis(2-cyanoethyl)ethylenediamine hydrochloride

Database identifiers

CAS: 94406-55-0
PubChem CID: 56755

Properties

Computed structural properties

Topological polar surface area: 55.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 17
Formal charge: 0
Complexity: 264

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