Ethyl-(R)-pyrrolidin-3-yl-carbamic acid benzyl ester

HCID 66569366

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Basic information

CAS: 1354001-87-8
Standard SMILES: CCN(C(=O)OCc1ccccc1)[C@@H]1CCNC1
InChIKey: USBGEPBAMFJQED-CYBMUJFWSA-N
Molecular formula: C14H20N2O2
Average molar mass: 248.32 g/mol
Monoisotopic mass: 248.15247789

Names & identifiers

Preferred name: Ethyl-(R)-pyrrolidin-3-yl-carbamic acid benzyl ester
IUPAC: benzyl N-ethyl-N-[(3R)-pyrrolidin-3-yl]carbamate
English name: Ethyl-(R)-pyrrolidin-3-yl-carbaMic acid benzyl ester
Molecular formula: C14H20N2O2
Molecular weight: 248.32

Names & synonyms

1354001-87-8Ethyl-(R)-pyrrolidin-3-yl-carbamic acid benzyl ester(R)-Benzyl ethyl(pyrrolidin-3-yl)carbamateBENZYL N-ETHYL-N-[(3R)-PYRROLIDIN-3-YL]CARBAMATE(R)-Benzylethyl(pyrrolidin-3-yl)carbamateDTXSID601167706Benzyl ethyl[(3R)-pyrrolidin-3-yl]carbamateCarbamic acid, N-ethyl-N-(3R)-3-pyrrolidinyl-, phenylmethyl ester

Database identifiers

CAS: 1354001-87-8
PubChem CID: 66569366
DTXSID: DTXSID601167706

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 265

Physicochemical properties

Boiling point: 371 · 371.0±41.0 °C(Predicted)
Density: 1.12 · 1.12±0.1 g/cm3(Predicted)
pka: 9.83 · 9.83±0.10(Predicted)

Chemistry & industry

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