Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester
Basic information
- CAS
100811-82-3- Standard SMILES
CC(CCNC1CCCCC1)OC(=O)c1ccc(N)cc1- InChIKey
PXSVOEGAOIDENJ-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester
- IUPAC
- 4-(cyclohexylamino)butan-2-yl 4-aminobenzoate
Names & synonyms
100811-82-3BENZOIC ACID, p-AMINO-, (1-CYCLOHEXYLAMINOMETHYL)-2-PROPYL ESTERRefChem:1079262p-Aminobenzoic acid (1-cyclohexylaminomethyl)-2-propyl ester4-(cyclohexylamino)butan-2-yl 4-aminobenzoateDTXSID50905758
Database identifiers
- CAS
100811-82-3- PubChem CID
- 58022
- DTXSID
DTXSID50905758
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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