2-(Heptylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)
Basic information
- CAS
69781-50-6- Standard SMILES
CCCCCCC[NH2+]C(C)(C)COC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
VRQMFDAGESDQDC-UHFFFAOYSA-N- Molecular formula
- C18H31ClN2O2
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.2074059
Names & identifiers
- Preferred name
- 2-(Heptylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-heptylazanium chloride
Names & synonyms
69781-50-6DTXSID109899932-(Heptylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)RefChem:1061848DTXCID501417100p-Aminobenzoic acid (2-(heptylamino)-2-methyl)propyl ester hydrochlorideBENZOIC ACID, p-AMINO-, (2-(HEPTYLAMINO)-2-METHYL)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
69781-50-6- PubChem CID
- 50797
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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