Carbamic acid, (3-hydroxypropyl)-, ethyl ester, carbanilate

HCID 21865

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Basic information

CAS: 5659-61-0
Standard SMILES: CCOC(=O)NCCCOC(=O)Nc1ccccc1
InChIKey: PKUWSSYTKUFWSE-UHFFFAOYSA-N
Molecular formula: C13H18N2O4
Average molar mass: 266.29 g/mol
Monoisotopic mass: 266.12665706

Names & identifiers

Preferred name: Carbamic acid, (3-hydroxypropyl)-, ethyl ester, carbanilate
IUPAC: 3-(ethoxycarbonylamino)propyl N-phenylcarbamate

Names & synonyms

Ethyl (3-hydroxypropyl)carbamate carbanilateBRN 2752042CARBAMIC ACID, (3-HYDROXYPROPYL)-, ETHYL ESTER, CARBANILATE5659-61-0DTXSID10205140RefChem:332044DTXCID101276313-[(Ethoxycarbonyl)amino]propyl phenylcarbamate

Database identifiers

CAS: 5659-61-0
PubChem CID: 21865
DTXSID: DTXSID10205140

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 278

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