Glycine, N-(N,N-bis(2-chloroethyl)sulfamoyl)-, ethyl ester

HCID 56065

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Basic information

CAS: 90326-15-1
Standard SMILES: CCOC(=O)CNS(=O)(=O)N(CCCl)CCCl
InChIKey: MAGZBZUTPPWUEW-UHFFFAOYSA-N
Molecular formula: C8H16Cl2N2O4S
Average molar mass: 307.19 g/mol
Monoisotopic mass: 306.0207836

Names & identifiers

Preferred name: Glycine, N-(N,N-bis(2-chloroethyl)sulfamoyl)-, ethyl ester
IUPAC: ethyl 2-[bis(2-chloroethyl)sulfamoylamino]acetate

Names & synonyms

BRN 2283206GLYCINE, N-(N,N-BIS(2-CHLOROETHYL)SULFAMOYL)-, ETHYL ESTER90326-15-1N-(Bis-(2-chloroaethyl)-sulfamyl)-glycinaethylester [German]DTXSID30238091Acetic acid, 2-(N,N-bis(2-chloroethyl)sulfamoyl)amino-, ethyl esterN-(Bis-(2-chloroaethyl)-sulfamyl)-glycinaethylesterRefChem:346522DTXCID50160582ethyl N-[bis(2-chloroethyl)sulfamoyl]glycinate

Database identifiers

CAS: 90326-15-1
PubChem CID: 56065
DTXSID: DTXSID30238091
Nikkaji: J75.684I

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 84.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 17
Formal charge: 0
Complexity: 312

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