(r)-3-Amino-3-(4-methoxyphenyl)propan-1-ol
Basic information
- CAS
1071436-31-1- Standard SMILES
COc1ccc([C@H](N)CCO)cc1- InChIKey
WHWMCHUIUINGOD-SNVBAGLBSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- (r)-3-Amino-3-(4-methoxyphenyl)propan-1-ol
- IUPAC
- (3R)-3-amino-3-(4-methoxyphenyl)propan-1-ol
- English name
- (R)-3-(4-METHOXYPHENYL)-BETA-ALANINOL
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
1071436-31-1(r)-3-amino-3-(4-methoxyphenyl)propan-1-ol(3r)-3-amino-3-(4-methoxyphenyl)propan-1-ol(r)-3-(4-methoxyphenyl)-beta-alaninol(r)-beta-(4-methoxyphenyl)alaninolMFCD07784114(R)-gamma-Amino-4-methoxy-benzenepropanol(R)-3-Amino-3-(4-methoxy-phenyl)-propan-1-olDTXSID50426599(R)- -(4-Methoxyphenyl)alaninolAKOS016845680AS-38049
Show more names
Benzenepropanol, γ-amino-4-methoxy-, (γR)-
SY258091CS-0172572(R)-3-Amino-3-(4-methoxyphenyl)-1-propanolEN300-1163997F696135Benzenepropanol, gamma-amino-4-methoxy-, (gammaR)-Benzenepropanol, .gamma.-amino-4-methoxy-, (.gamma.R)-
Database identifiers
- CAS
1071436-31-1- PubChem CID
- 7010075
- DTXSID
DTXSID50426599
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 334.201 · 334.201±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.905 · 14.905±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…