Basic information
- CAS
67688-72-6- Standard SMILES
Cl.NCc1ccc(C(=O)O)cc1- InChIKey
IQKLOQHWKQYTQZ-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO2
- Average molar mass
- 187.62 g/mol
- Monoisotopic mass
- 187.04000624
Names & identifiers
- Preferred name
- Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)
- IUPAC
- 4-(aminomethyl)benzoic acid;hydrochloride
- English name
- 4-(aminomethyl)benzoic acid hydrochloride
- Molecular formula
- C8H10ClNO2
- Molecular weight
- 187.6235
Names & synonyms
4-(Aminomethyl)benzoic acid hydrochloride67688-72-6MVW2TZW37DDTXSID10217980Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)RefChem:1079143DTXCID60140471266-903-94-(aminomethyl)benzoic acid;hydrochloride4-(Aminomethyl)benzoic acid HClEINECS 266-903-9SCHEMBL1206230
Show more names
4-(aminomethyl)-Benzoic acid hydrochloride (1:1)
4-carboxy-benzylamine hydrochloride4-aminomethylbenzoic acid hydrochlorideAKOS0253971654-(aminomethyl)-benzoate hydrochloride saltDB-357550NS00087914Benzoic acid, 4-(aminomethyl)-, hydrochloride4-(Aminomethyl)benzoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
67688-72-6- PubChem CID
- 105553
- DTXSID
DTXSID10217980- UNII
- MVW2TZW37D
- EC Number
- 266-903-9
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 134 · 134-136 °C
Chemistry & industry
Suppliers3 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
3 records
Compound notes
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