Basic information
- CAS
1213459-55-2- Standard SMILES
C[C@H](N)c1ccc(Br)cc1O- InChIKey
XLNAIXDISZVKQD-YFKPBYRVSA-N- Molecular formula
- C8H10BrNO
- Average molar mass
- 216.07 g/mol
Names & identifiers
- Preferred name
- 2-[(1S)-1-aminoethyl]-5-bromophenol
- IUPAC
- 2-[(1S)-1-aminoethyl]-5-bromophenol
- English name
- 2-((S)-1-aminoethyl)-5-bromophenol
- Molecular formula
- C8H10BrNO
- Molecular weight
- 216.08
Names & synonyms
2-[(1S)-1-aminoethyl]-5-bromophenol1213459-55-2(S)-2-(1-Aminoethyl)-5-bromophenolSCHEMBL24838388EN300-19155712-((S)-1-aminoethyl)-5-bromophenolPhenol, 2-[(1S)-1-aminoethyl]-5-bromo-
Database identifiers
- CAS
1213459-55-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 313.9 · 313.9±27.0 °C(Predicted)
- Density
- 1.529 · 1.529±0.06 g/cm3(Predicted)
- pka
- 8.3 · 8.30±0.40(Predicted)
Chemistry & industry
Suppliers6 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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