Basic information
- CAS
64831-69-2- Standard SMILES
COc1ccc(OC)c2c1C[C@H](NCCO)[C@@H](O)C2- InChIKey
PRAIAOIMWAAPRN-RYUDHWBXSA-N- Molecular formula
- C14H21NO4
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.14705815
Overview
RN given refers to (trans)-isomer; structure
Names & identifiers
- Preferred name
- 5,8-Dimethoxy-2-(2-hydroxyethyl)amino-3-hydroxy-1,2,3,4-tetrahydronaphthalene
- IUPAC
- (2S,3S)-3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
- English name
- 5,8-dimethoxy-2-(2-hydroxyethyl)amino-3-hydroxy-1,2,3,4-tetrahydronaphthalene
- Molecular formula
- C14H21NO4
- Molecular weight
- 267.32
Names & synonyms
64831-69-25,8-Dimethoxy-2-(2-hydroxyethyl)amino-3-hydroxy-1,2,3,4-tetrahydronaphthalene(trans)-1,2,3,4-Tetrahydro-3-((2-hydroxyethyl)amino)-5,8-dimethoxy-2-naphthalenolRefChem:101446Tetraminol(2s,3s)-3-[(2-hydroxyethyl)amino]-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol(2S,3S)-3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-olDTXSID00983425GAA635663-[(2-HYDROXYETHYL)AMINO]-5,8-DIMETHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-2-OL2-Naphthalenol, 1,2,3,4-tetrahydro-3-[(2-hydroxyethyl)amino]-5,8-dimethoxy-, trans- (9CI)
Database identifiers
- CAS
64831-69-2- PubChem CID
- 125151
- DTXSID
DTXSID00983425- Nikkaji
- J389.165H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 142 · 142-143 °C(Solvent: Ethanol)
- Boiling point
- 494.105 · 494.105±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.228 · 1.228±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.294 · 14.294±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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