Benzyl octahydroquinoxaline-1(2H)-carboxylate
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Basic information
- CAS
889957-98-6- Standard SMILES
O=C(OCc1ccccc1)N1CCNC2CCCCC21- InChIKey
GZTLXXIGRCPQDZ-UHFFFAOYSA-N- Molecular formula
- C16H22N2O2
- Average molar mass
- 274.36 g/mol
- Monoisotopic mass
- 274.16812795
Names & identifiers
- Preferred name
- Benzyl octahydroquinoxaline-1(2H)-carboxylate
- IUPAC
- benzyl 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxaline-1-carboxylate
- English name
- OCTAHYDRO-QUINOXALINE-1-CARBOXYLIC ACID BENZYL ESTER
- Molecular formula
- C16H22N2O2
- Molecular weight
- 274.36
Names & synonyms
889957-98-6Benzyl octahydroquinoxaline-1(2H)-carboxylateOCTAHYDRO-QUINOXALINE-1-CARBOXYLIC ACID BENZYL ESTERSCHEMBL1190472GZTLXXIGRCPQDZ-UHFFFAOYSA-NAT44167Benzyloctahydroquinoxaline-1(2H)-carboxylatephenylmethyl octahydro-1(2H)-quinoxalinecarboxylate1(2H)-QUINOXALINECARBOXYLIC ACID, OCTAHYDRO-, PHENYLMETHYL ESTER
Database identifiers
- CAS
889957-98-6- PubChem CID
- 45358656
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Chemistry & industry
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Related reactions
4 records
Compound notes
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