ethyl N-[1,1-dichloro-2-(ethoxycarbonylamino)propan-2-yl]carbamate

HCID 225548

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Basic information

CAS: 5439-33-8
Standard SMILES: CCOC(=O)NC(C)(NC(=O)OCC)C(Cl)Cl
InChIKey: BAEDXRRERFXKRG-UHFFFAOYSA-N
Molecular formula: C9H16Cl2N2O4
Average molar mass: 287.14 g/mol
Monoisotopic mass: 286.0487124

Names & identifiers

Preferred name: ethyl N-[1,1-dichloro-2-(ethoxycarbonylamino)propan-2-yl]carbamate
IUPAC: ethyl N-[1,1-dichloro-2-(ethoxycarbonylamino)propan-2-yl]carbamate

Names & synonyms

5439-33-8NSC15097ethyl N-[1,1-dichloro-2-(ethoxycarbonylamino)propan-2-yl]carbamateDTXSID20969504NSC-15097DS-002229Diethyl (1,1-dichloropropane-2,2-diyl)bis(hydrogen carbonimidate)

Database identifiers

CAS: 5439-33-8
PubChem CID: 225548
DTXSID: DTXSID20969504

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 254

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