Benzoic acid, p-amino-, 2-(4-heptylamino)-1-propyl ester
Basic information
- CAS
73713-51-6- Standard SMILES
CCCC(CCC)NC(C)COC(=O)c1ccc(N)cc1- InChIKey
BQKCOGCXXOGCFZ-UHFFFAOYSA-N- Molecular formula
- C17H28N2O2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.21507814
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-(4-heptylamino)-1-propyl ester
- IUPAC
- 2-(heptan-4-ylamino)propyl 4-aminobenzoate
- English name
- 2-(1-Propylbutylamino)propyl=p-aminobenzoate
- Molecular formula
- C17H28N2O2
- Molecular weight
- 292.42
Names & synonyms
73713-51-6p-Aminobenzoic acid 2-(4-heptylamino)-1-propyl esterBENZOIC ACID, p-AMINO-, 2-(4-HEPTYLAMINO)-1-PROPYL ESTERRefChem:3279042-[(Heptan-4-yl)amino]propyl 4-aminobenzoateDTXSID609945772-(1-Propylbutylamino)propyl=p-aminobenzoate1-Propanol, 2-[(1-propylbutyl)amino]-, 1-(4-aminobenzoate)
Database identifiers
- CAS
73713-51-6- PubChem CID
- 50713
- DTXSID
DTXSID60994577- Nikkaji
- J73.842E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
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