Ais 48
Basic information
- CAS
58489-32-0- Standard SMILES
NNC(CCN1CCc2ccccc2C1)C(=O)O- InChIKey
RAZQEQZUJPJUNV-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ais 48
- IUPAC
- 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydrazinylbutanoic acid
Names & synonyms
Ais 4858489-32-0RefChem:110313(+-)-alpha-hydrazino-3,4-dihydro-2(1H)-isoquinolinebutanoic acidDL-gamma-N-(1,2,3,4-Tetrahydroisoquinolyl)-alpha-hydrazinobutyric acidgamma-N-(1,2,3,4-Tetrahydroisoquinolyl)-alpha-hydrazinobutyric acid2(1H)-Isoquinolinebutanoic acid, alpha-hydrazino-3,4-dihydro-, (+-)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydrazinylbutanoic acidDTXSID009740354-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-hydrazinylbutanoic acid
Database identifiers
- CAS
58489-32-0- PubChem CID
- 3085141
- DTXSID
DTXSID00974035
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
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Related reactions
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Compound notes
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