methyl 2-[2-amino-N-[3-(methylamino)propyl]anilino]benzoate
Basic information
- CAS
13450-71-0- Standard SMILES
CNCCCN(c1ccccc1N)c1ccccc1C(=O)OC- InChIKey
BXENWNJCBCMLPI-UHFFFAOYSA-N- Molecular formula
- C18H23N3O2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.17902698
Names & identifiers
- Preferred name
- methyl 2-[2-amino-N-[3-(methylamino)propyl]anilino]benzoate
- IUPAC
- methyl 2-[2-amino-N-[3-(methylamino)propyl]anilino]benzoate
- English name
- 2-[(2-Aminophenyl)[3-(methylamino)propyl]amino]benzoic acid methyl ester
- Molecular formula
- C18H23N3O2
- Molecular weight
- 313.39
Names & synonyms
methyl 2-[2-amino-N-[3-(methylamino)propyl]anilino]benzoate13450-71-0BXENWNJCBCMLPI-UHFFFAOYSA-N2-[(2-Aminophenyl)[3-(methylamino)propyl]amino]benzoic acid methyl esterBenzoic acid, 2-[(2-aminophenyl)[3-(methylamino)propyl]amino]-, methyl esterDTXSID00347962Anthranilic acid, N-(o-aminophenyl)-N-[3-(methylamino)propyl]-, methyl esterMethyl 2-(2-amino[3-(methylamino)propyl]anilino)benzoate #Methyl 2-{(2-aminophenyl)[3-(methylamino)propyl]amino}benzoate
Database identifiers
- CAS
13450-71-0- PubChem CID
- 628633
- DTXSID
DTXSID00347962- Nikkaji
- J111.500F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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