2-Phenanthrenol, 3-amino-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
Basic information
- CAS
51905-87-4- Standard SMILES
CC(C)c1c(O)c(N)cc2c1CC[C@H]1C(C)(C)CCC[C@]21C- InChIKey
RLJSPSXYQAOQAZ-OXJNMPFZSA-N- Molecular formula
- C20H31NO
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 301.24056461
Names & identifiers
- Preferred name
- 2-Phenanthrenol, 3-amino-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
- IUPAC
- (4bS,8aS)-3-amino-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
- English name
- 2-Phenanthrenol, 3-amino-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
- Molecular formula
- C20H31NO
- Molecular weight
- 301.47
Names & synonyms
51905-87-4RefChem:4779042-Phenanthrenol, 3-amino-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-RLJSPSXYQAOQAZ-OXJNMPFZSA-N12-Aminototara-8,11,13-trien-13-ol(4bS,8aS)-3-amino-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Database identifiers
- CAS
51905-87-4- PubChem CID
- 484422
- Nikkaji
- J1.357.355G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2-Phenanthrenol, 3-amino-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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