Basic information
- CAS
22684-78-2- Standard SMILES
CCCC[NH2+]CCOC(=O)c1cccc(OC)c1OCCCC.[Cl-]- InChIKey
MBGTZOAOUKGRQG-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO4
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1863361
Names & identifiers
- Preferred name
- 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-butylazanium chloride
Names & synonyms
22684-78-2DTXSID709453532-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)RefChem:1061510DTXCID601373672BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(BUTYLAMINO)ETHYL ESTER, HYDROCHLORIDE2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(butylamino)ethyl ester
Database identifiers
- CAS
22684-78-2- PubChem CID
- 31485
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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