Basic information
- CAS
100311-20-4- Standard SMILES
CCCCNc1ccc(C(=O)OCCCN2CCCCC2)c(OCCCC)c1- InChIKey
CFFITRKPHLULBB-UHFFFAOYSA-N- Molecular formula
- C23H38N2O3
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.28824308
Names & identifiers
- Preferred name
- Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester
- IUPAC
- 3-piperidin-1-ylpropyl 2-butoxy-4-(butylamino)benzoate
- English name
- Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester
- Molecular weight
- 0
Names & synonyms
100311-20-4BENZOIC ACID, 2-BUTOXY-4-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTERBRN 03006282-Butoxy-4-butylaminobenzoic acid 3-piperidinopropyl esterDTXSID601431494-20-00-00497 (Beilstein Handbook Reference)RefChem:326836DTXCID00656403-(PIPERIDIN-1-YL)PROPYL 2-BUTOXY-4-(BUTYLAMINO)BENZOATE3-piperidin-1-ylpropyl 2-butoxy-4-(butylamino)benzoate3-(1-Piperidinyl)propyl 2-butoxy-4-(butylamino)benzoate
Database identifiers
- CAS
100311-20-4- PubChem CID
- 57746
- DTXSID
DTXSID60143149- Nikkaji
- J73.893J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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