Carbamic acid, (3-hydroxypropyl)-, isopropyl ester, carbamate

HCID 56049

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Basic information

CAS: 90222-16-5
Standard SMILES: CC(C)OC(=O)NCCCOC(N)=O
InChIKey: CMTFAFHOSNUZPC-UHFFFAOYSA-N
Molecular formula: C8H16N2O4
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.111007

Names & identifiers

Preferred name: Carbamic acid, (3-hydroxypropyl)-, isopropyl ester, carbamate
IUPAC: propan-2-yl N-(3-carbamoyloxypropyl)carbamate

Names & synonyms

Isopropyl (3-carbamoyloxypropyl)carbamateCARBAMIC ACID, (3-HYDROXYPROPYL)-, ISOPROPYL ESTER, CARBAMATE90222-16-5DTXSID40238067RefChem:332047DTXCID60160558Propan-2-yl [3-(carbamoyloxy)propyl]carbamate

Database identifiers

CAS: 90222-16-5
PubChem CID: 56049
DTXSID: DTXSID40238067

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 194

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