Basic information
- CAS
17599-07-4- Standard SMILES
C[NH+](C)CCCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
SOPJPVBFMDDQDB-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.1135055
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(4-aminobenzoyl)oxypropyl-dimethylazanium chloride
Names & synonyms
17599-07-4DTXSID409387323-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)RefChem:1067118DTXCID401367253p-Aminobenzoic acid 3-(dimethylamino)propyl ester hydrochlorideBENZOIC ACID, p-AMINO-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
17599-07-4- PubChem CID
- 28626
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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