(2R,3S)-(-)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol
Basic information
- CAS
63957-11-9- Standard SMILES
C[C@@H](CN(C)C)[C@](O)(Cc1ccccc1)c1ccccc1- InChIKey
INTCGJHAECYOBW-QFBILLFUSA-N- Molecular formula
- C19H25NO
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.19361442
Names & identifiers
- Preferred name
- (2R,3S)-(-)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol
- IUPAC
- (2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
- English name
- (2R 3s)-(-)-4-dimethylamino-1 2-dipheny&
- Molecular formula
- C19H25NO
- Molecular weight
- 283.413
Names & synonyms
(2R,3S)-(-)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanolDTXSID30350782RefChem:1049883DTXCID2030184972541-03-8(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol63957-11-9SCHEMBL4555631INTCGJHAECYOBW-QFBILLFUSA-NEINECS 264-577-2DB-074586(2r,3s)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol
Show more names
(2R,3S)-(-)-4-DIMETHYLAMINO-1,2-DIPHENYL(2R 3s)-(-)-4-dimethylamino-1 2-dipheny&(2R 3S)-(-)-4-DIMETHYLAMINO-1 2-DIPHENY& USP/EP/BPBenzeneethanol, α-[(1S)-2-(dimethylamino)-1-methylethyl]-α-phenyl-, (αR)-
(2R,3S)-(-)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol, 99%(R*,S*)-(1)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylphenethyl alcoholBenzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, (R*,S*)-(+-)-
Database identifiers
- CAS
63957-11-9、72541-03-8- PubChem CID
- 688065
- DTXSID
DTXSID30350782- EC Number
- 264-577-2、615-779-8
- Nikkaji
- J305.026B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 54 · 54-55 °C(lit.)
- Boiling point
- 418.7 · 418.7±45.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- pka
- 14.13 · 14.13±0.29(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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