Basic information
- CAS
632626-98-3- Standard SMILES
CCCNc1cc(N)cc(C(=O)O)c1- InChIKey
XZUFZSCMPNCVAR-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
Names & identifiers
- Preferred name
- 3-Amino-5-(propylamino)benzoic acid
- IUPAC
- 3-amino-5-(propylamino)benzoic acid
- English name
- Benzoic acid, 3-amino-5-(propylamino)- (9CI)
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
3-Amino-5-(propylamino)benzoic acid632626-98-3SCHEMBL5629369XZUFZSCMPNCVAR-UHFFFAOYSA-NBenzoic acid, 3-amino-5-(propylamino)-DB-274532Benzoic acid, 3-amino-5-(propylamino)- (9CI)
Database identifiers
- CAS
632626-98-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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