4-Chromanol, 3-amino-, (E)-
Basic information
- CAS
33607-86-2- Standard SMILES
N[C@H]1COc2ccccc2[C@@H]1O- InChIKey
HCUMBNVFLOJFSA-CBAPKCEASA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 4-Chromanol, 3-amino-, (E)-
- IUPAC
- (3S,4S)-3-amino-3,4-dihydro-2H-chromen-4-ol
Names & synonyms
33607-86-24-Chromanol, 3-amino-, (E)-RefChem:1070545Rel-(3S,4S)-3-aminochroman-4-olTrans-3-aminochroman-4-oltrans-3-Amino-4-chromanol(E)-3-Amino-4-chromanol4-Chromanol, 3-amino-, trans-(3S,4S)-3-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-OL2H-1-Benzopyran-4-ol, 3-amino-3,4-dihydro-, trans-DTXSID20955240
Database identifiers
- CAS
33607-86-2- PubChem CID
- 214670
- DTXSID
DTXSID20955240
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
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Related reactions
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Compound notes
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