Basic information
- CAS
63491-88-3- Standard SMILES
NCc1ccc(O)c(Br)c1- InChIKey
AOZGJQUAZCZJOH-UHFFFAOYSA-N- Molecular formula
- C7H8BrNO
- Average molar mass
- 202.05 g/mol
- Monoisotopic mass
- 200.97893
Names & identifiers
- Preferred name
- 4-(Aminomethyl)-2-bromophenol
- IUPAC
- 4-(aminomethyl)-2-bromophenol
- English name
- 3-Bromo-4-hydroxybenzylamine
- Molecular formula
- C7H8BrNO
- Molecular weight
- 202.05
Names & synonyms
4-(aminomethyl)-2-bromophenol63491-88-33-BROMO-4-HYDROXYBENZYLAMINECHEMBL217798SCHEMBL54412824-(aminomethyl)-2-bromo-phenolDTXSID00495139AKOS012346113MB02719DA-22362CS-0268855EN300-148527
Show more names
RARECHEM AL BW 0768Phenol, 4-(aminomethyl)-2-bromo-
A1-00696
Database identifiers
- CAS
63491-88-3- PubChem CID
- 12376512
- DTXSID
DTXSID00495139- ChEMBL
CHEMBL217798
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 287.3 · 287.3±25.0 °C(Predicted)
- Density
- 1.628 · 1.628±0.06 g/cm3(Predicted)
- pka
- 7.44 · 7.44±0.31(Predicted)
Chemistry & industry
Suppliers5 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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