Benzoic acid, 2-butoxy-4-(butylamino)-, 2-(dimethylamino)ethyl ester

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Basic information

CAS: 78329-83-6
Standard SMILES: CCCCNc1ccc(C(=O)OCCN(C)C)c(OCCCC)c1
InChIKey: VHLLWHUQQXYFTE-UHFFFAOYSA-N
Molecular formula: C19H32N2O3
Average molar mass: 336.5 g/mol
Monoisotopic mass: 336.24129289

Names & identifiers

Preferred name: Benzoic acid, 2-butoxy-4-(butylamino)-, 2-(dimethylamino)ethyl ester
IUPAC: 2-(dimethylamino)ethyl 2-butoxy-4-(butylamino)benzoate

Names & synonyms

BENZOIC ACID, 2-BUTOXY-4-(BUTYLAMINO)-, 2-(DIMETHYLAMINO)ETHYL ESTER78329-83-6S 803BRN 33753602-(dimethylamino)ethyl 2-butoxy-4-(butylamino)benzoate4-n-(Butylamino)-2-N-butoxybenzoesaeure-dimethylaminoaethylester [German]DTXSID202289864-n-(Butylamino)-2-N-butoxybenzoesaeure-dimethylaminoaethylester

Database identifiers

CAS: 78329-83-6
PubChem CID: 54173
DTXSID: DTXSID20228986
Nikkaji: J73.892A

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 24
Formal charge: 0
Complexity: 337

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Compound notes

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