Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester
Basic information
- CAS
78329-90-5- Standard SMILES
CCCCN(CCCC)CCCOCc1ccc(C(=O)OCCCN(CCCC)CCCC)cc1- InChIKey
BPCBFHJFGFDZBF-UHFFFAOYSA-N- Molecular formula
- C30H54N2O3
- Average molar mass
- 490.8 g/mol
- Monoisotopic mass
- 490.41344359
Names & identifiers
- Preferred name
- Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester
- IUPAC
- 3-(dibutylamino)propyl 4-[3-(dibutylamino)propoxymethyl]benzoate
Names & synonyms
BRN 3480028BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, 3-(DIBUTYLAMINO)PROPYL ESTERp-((3-Dibutylaminopropoxy)methyl)benzoic acid 3-dibutylaminopropyl ester78329-90-53-(Dibutylamino)propyl p-((3-dibutylaminopropoxy)methyl)benzoateDTXSID102289903-10-00-00530 (Beilstein Handbook Reference)RefChem:327795DTXCID601514813-(dibutylamino)propyl 4-{[3-(dibutylamino)propoxy]methyl}benzoate
Database identifiers
- CAS
78329-90-5- PubChem CID
- 54181
- DTXSID
DTXSID10228990- Nikkaji
- J73.939A
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 464
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Compound notes
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