Basic information
- CAS
69781-57-3- Standard SMILES
CCCC[NH2+]C(C)(C)COC(=O)c1cccc(N)c1.[Cl-]- InChIKey
KBAINPXJGMDSQH-UHFFFAOYSA-N- Molecular formula
- C15H25ClN2O2
- Average molar mass
- 300.82 g/mol
- Monoisotopic mass
- 300.1604557
Names & identifiers
- Preferred name
- 2-(Butylamino)-2-methylpropyl 3-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- [1-(3-aminobenzoyl)oxy-2-methylpropan-2-yl]-butylazanium chloride
Names & synonyms
69781-57-3DTXSID109899982-(Butylamino)-2-methylpropyl 3-aminobenzoate--hydrogen chloride (1/1)RefChem:1061503DTXCID001417105m-Aminobenzoic acid (2-(butylamino)-2-methyl)propyl ester hydrochlorideBENZOIC ACID, m-AMINO-, (2-(BUTYLAMINO)-2-METHYL)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
69781-57-3- PubChem CID
- 50810
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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