3-Amino-4-(cyclohexylamino)benzoic acid
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Basic information
- CAS
329020-79-3- Standard SMILES
Nc1cc(C(=O)O)ccc1NC1CCCCC1- InChIKey
UKGXJCYVYQRBSB-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-(cyclohexylamino)benzoic acid
- IUPAC
- 3-amino-4-(cyclohexylamino)benzoic acid
- English name
- 3-Amino-4-cyclohexylamino-benzoic acid
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
3-amino-4-(cyclohexylamino)benzoic acid329020-79-33-Amino-4-cyclohexylamino-benzoic acidCambridge id 7117292Oprea1_055272Oprea1_464755SCHEMBL2027612CHEMBL3781698SCHEMBL31729488SBB027504AKOS0003015703-amino-4-(cyclohexylamino)benzoicacid
Show more names
Benzoic acid, 3-amino-4-(cyclohexylamino)-
SB81038DB-112466CS-0271636ST50004933EN300-1116064
Database identifiers
- CAS
329020-79-3- ChEMBL
CHEMBL3781698
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 452.5 · 452.5±40.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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