Heptyl p-aminobenzoate
Basic information
- CAS
14309-40-1- Standard SMILES
CCCCCCCOC(=O)c1ccc(N)cc1- InChIKey
IAHJVNSZPMIREM-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- Heptyl p-aminobenzoate
- IUPAC
- heptyl 4-aminobenzoate
- English name
- 4-Aminobenzoic acid heptyl ester
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
14309-40-1HEPTYL P-AMINOBENZOATEDTXSID10162305RefChem:145736DTXCID3084796IAHJVNSZPMIREM-UHFFFAOYSA-Nheptyl 4-aminobenzoate4-Aminobenzoic acid heptyl esterMFCD01360176Benzoic acid, 4-amino-, heptyl esterheptyl4-aminobenzoateSCHEMBL9068530
Show more names
ALBB-024944SBB072385AKOS009040553SB81090LS-08279CS-0324355ST45028076H34860
Database identifiers
- CAS
14309-40-1- PubChem CID
- 26628
- DTXSID
DTXSID10162305- Nikkaji
- J167.713F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
LogP4.5
Physicochemical properties
- Boiling point
- 377.72 °C · 377.72°C (rough estimate)
- Density
- 1.0247 · 1.0247 (rough estimate)
- refractive index
- 1.5385 · 1.5385 (estimate)
- Water Solubility
- 4.707 mg/L · 4.707mg/L(37 ºC)
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Compound notes
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