Basic information
- CAS
886366-32-1- Standard SMILES
COc1ccc(C(N)CCO)cc1O- InChIKey
OXSZTNZUDMWDOJ-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 5-(1-Amino-3-hydroxypropyl)-2-methoxyphenol
- IUPAC
- 5-(1-amino-3-hydroxypropyl)-2-methoxyphenol
- English name
- 3-(3-HYDROXY-4-METHOXYPHENYL)-DL-BETA-ALANINOL
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
886366-32-15-(1-amino-3-hydroxypropyl)-2-methoxyphenol5-(1-amino-3-hydroxy-propyl)-2-methoxy-phenol(r)-3-(3-hydroxy-4-methoxyphenyl)-beta-alaninol3-(3-hydroxy-4-methoxyphenyl)-dl-beta-alaninolgamma-Amino-3-hydroxy-4-methoxy-benzenepropanolDTXSID40661558SB45789SB85116DL- -(3-Hydroxy-4-methoxyphenyl)alaninolDB-078057dl-beta-(3-hydroxy-4-methoxyphenyl)alaninol
Show more names
(R)-3-(3-Hydroxy-4-methoxyphenyl)-β-alaninolBenzenepropanol, .gamma.-amino-3-hydroxy-4-methoxy-
EN300-1856688
Database identifiers
- CAS
886366-32-1- PubChem CID
- 44891237
- DTXSID
DTXSID40661558
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 399.3 · 399.3±42.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.10(Predicted)
Chemistry & industry
Suppliers6 total
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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