BENZOIC ACID, p-((2-DIETHYLAMINOETHOXY)METHYL)-, BUTYL ESTER
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Basic information
- CAS
78329-92-7- Standard SMILES
CCCCOC(=O)c1ccc(COCCN(CC)CC)cc1- InChIKey
FUSYNERXYOYGKA-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- BENZOIC ACID, p-((2-DIETHYLAMINOETHOXY)METHYL)-, BUTYL ESTER
- IUPAC
- butyl 4-[2-(diethylamino)ethoxymethyl]benzoate
- English name
- BENZOIC ACID, p-((2-DIETHYLAMINOETHOXY)METHYL)-, BUTYL ESTER
- Molecular formula
- C18H29NO3
- Molecular weight
- 307.43
Names & synonyms
78329-92-7BENZOIC ACID, p-((2-DIETHYLAMINOETHOXY)METHYL)-, BUTYL ESTERBRN 3350449p-((2-Diethylaminoethoxy)methyl)benzoic acid butyl esterButyl p-((2-diethylaminoethoxy)methyl)benzoateBUTYL 4-{[2-(DIETHYLAMINO)ETHOXY]METHYL}BENZOATEDTXSID30228992Benzoic acid, 4-[[2-(diethylamino)ethoxy]methyl]-, butyl ester
Database identifiers
- CAS
78329-92-7- PubChem CID
- 54183
- DTXSID
DTXSID30228992- Nikkaji
- J83.336C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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