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Basic information
- CAS
500-88-9- Standard SMILES
NC(CO)Cc1ccc(O)cc1- InChIKey
DBLDQZASZZMNSL-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
Names & identifiers
- Preferred name
- 4-(2-Amino-3-hydroxypropyl)phenol
- IUPAC
- 4-(2-amino-3-hydroxypropyl)phenol
- English name
- Benzenepropanol, β-amino-4-hydroxy-
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
4-(2-Amino-3-hydroxypropyl)phenol500-88-9Tyrosinol, DL-DL-TYROSINOLXFZ3JA6LZXSCHEMBL148531beta-Amino-4-hydroxybenzenepropanol4-(2-amino-3-hydroxy-propyl)phenolBenzenepropanol, beta-amino-4-hydroxy-1-Propanol, 2-amino-3-(p-hydroxyphenyl)-DB-014768EN300-24532
Show more names
Benzenepropanol, β-amino-4-hydroxy-
Database identifiers
- CAS
500-88-9- PubChem CID
- 548190
- UNII
- XFZ3JA6LZX
- Nikkaji
- J3.514.533H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 170 · 170-180 °C(Press: 0.05 Torr)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- Melting point
- 91.4 · 91.4-92.1 °C
- pka
- 10.01 · 10.01±0.15(Predicted)
Chemistry & industry
Suppliers5 total
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
苏州艾瑞缇克生物科技有限公司18168183658 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
2 records
Compound notes
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