3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid
Basic information
- CAS
436088-89-0- Standard SMILES
Nc1cc(C(=O)O)ccc1NCc1cccnc1- InChIKey
MHWWFBSFFVDUPF-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid
- IUPAC
- 3-amino-4-(pyridin-3-ylmethylamino)benzoic acid
- English name
- 3-AMINO-4-[(PYRIDIN-3-YLMETHYL)-AMINO]-BENZOIC ACID
- Molecular formula
- C13H13N3O2
- Molecular weight
- 243.26
Names & synonyms
436088-89-03-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid3-Amino-4-((pyridin-3-ylmethyl)amino)benzoic acid3-amino-4-(pyridin-3-ylmethylamino)benzoic acid3-amino-4-[(pyridin-3-ylmethyl)amino]benzoic acidC13H13N3O2MFCD032744763-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid3450AEOprea1_563908Oprea1_8466323-amino-4-[(3-pyridinylmethyl)amino]benzoic acid
Show more names
CHEMBRDG-BB 6637326Benzoic acid, 3-amino-4-[(3-pyridinylmethyl)amino]-3-amino-4-[(pyridin-3-ylmethyl)amino]benzoic acid(SALTDATA: FREE)
CHEMBL242279DTXSID60355609SBB300538AKOS000301784BS-37954DB-029148ST500110133-amino-4-(3-pyridylmethylamino)benzoic acid
Database identifiers
- CAS
436088-89-0- PubChem CID
- 808765
- DTXSID
DTXSID60355609- ChEMBL
CHEMBL242279
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- 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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…