Einecs 299-630-9

HCID 44153443

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Basic information

CAS: 93893-42-6
Standard SMILES: CCNCC.O=C1CC[C@@H](C(=O)O)N1
InChIKey: FMQPPKMMCJFCCQ-DFWYDOINSA-N
Molecular formula: C9H18N2O3
Average molar mass: 202.25 g/mol
Monoisotopic mass: 202.13174244

Names & identifiers

Preferred name: Einecs 299-630-9
IUPAC: N-ethylethanamine;(2S)-5-oxopyrrolidine-2-carboxylic acid

Names & synonyms

EINECS 299-630-993893-42-65-Oxo-L-proline, compound with diethylamine (1:1)DTXSID40917300NS00091153(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--N-ethylethanamine (1/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--N-ethylethanamine (1/1)

Database identifiers

CAS: 93893-42-6
PubChem CID: 44153443
DTXSID: DTXSID40917300
EC Number: 299-630-9

Properties

Computed structural properties

Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 165

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