Basic information
- CAS
100311-21-5- Standard SMILES
CCCCNc1ccc(C(=O)OCC(O)C[NH3+])cc1.[Cl-]- InChIKey
YXTIJVKBDFBNIG-UHFFFAOYSA-N- Molecular formula
- C14H23ClN2O3
- Average molar mass
- 302.8 g/mol
- Monoisotopic mass
- 302.1397203
Names & identifiers
- Preferred name
- 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
- IUPAC
- [3-[4-(butylamino)benzoyl]oxy-2-hydroxypropyl]azanium chloride
Names & synonyms
100311-21-5DTXSID409053683-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)RefChem:1067295DTXCID101334471Tussicain hydrochloride3-Amino-2-hydroxypropyl p-(butylamino)benzoate hydrochloride4-Butylamino-benzoesaeure-gamma-amino-beta-hydroxy-propyl-ester hydrochlorid [German]BENZOIC ACID, p-(BUTYLAMINO)-, 3-AMINO-2-HYDROXYPROPYL ESTER, HYDROCHLORIDE4-Butylamino-benzoesaeure-gamma-amino-beta-hydroxy-propyl-ester hydrochlorid
Database identifiers
- CAS
100311-21-5- PubChem CID
- 57747
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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