(S)-6-(tert-Butyl)chroman-4-amine
Basic information
- CAS
1228550-43-3- Standard SMILES
CC(C)(C)c1ccc2c(c1)[C@@H](N)CCO2- InChIKey
DDJDIGRZLPYWRP-NSHDSACASA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- (S)-6-(tert-Butyl)chroman-4-amine
- IUPAC
- (4S)-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
- English name
- (4S)-6-(tert-Butyl)chromane-4-ylamine
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
(S)-6-(tert-Butyl)chroman-4-amine1228550-43-3DTXSID801177789AKOS015060360Y12251(4S)-6-tert-Butyl-3,4-dihydro-2H-1-benzopyran-4-amine(4S)-6-(1,1-Dimethylethyl)-3,4-dihydro-2H-1-benzopyran-4-amine(4S)-6-(tert-Butyl)chromane-4-ylamine2H-1-Benzopyran-4-amine, 6-(1,1-dimethylethyl)-3,4-dihydro-, (4S)-
Database identifiers
- CAS
1228550-43-3- PubChem CID
- 65720474
- DTXSID
DTXSID801177789
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 277.4 · 277.4±40.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 8.84 · 8.84±0.20(Predicted)
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Related reactions
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Compound notes
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