Basic information
- CAS
107328-14-3- Standard SMILES
O=C(CC(NCc1ccccc1)C(=O)O)NC1CCCCC1- InChIKey
VCCYANQOUCPGQP-UHFFFAOYSA-N- Molecular formula
- C17H24N2O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.17869263
Names & identifiers
- Preferred name
- 2-Benzylamino-N-cyclohexyl-succinamic acid
- IUPAC
- 2-(benzylamino)-4-(cyclohexylamino)-4-oxobutanoic acid
- English name
- 2-Benzylamino-N-cyclohexyl-succinamic acid
- Molecular formula
- C17H24N2O3
- Molecular weight
- 304.38
Names & synonyms
107328-14-32-Benzylamino-N-cyclohexyl-succinamic acidDTXSID40340154RefChem:256593DTXCID60291235VCCYANQOUCPGQP-UHFFFAOYSA-N2-(benzylamino)-4-(cyclohexylamino)-4-oxobutanoic acid2-(benzylamino)-3-(cyclohexylcarbamoyl)propanoic acidC17H24N2O32-(benzylazaniumyl)-4-(cyclohexylamino)-4-oxobutanoate3-(N-cyclohexylcarbamoyl)-2-[benzylamino]propanoic acidN~2~-Benzyl-N-cyclohexylasparagine
Show more names
TIMTEC-BB SBB012317N2-BENZYL-N4-CYCLOHEXYLASPARAGINEAsparagine, N2-benzyl-N-cyclohexyl- (6CI)
Asparagine,N2-benzyl-N-cyclohexyl- (6CI)8406ACHMS1671A17SBB012317AKOS000301430AKOS024302883AZ-6015N~2~-benzyl-N~4~-cyclohexylasparagine
Database identifiers
- CAS
107328-14-3- PubChem CID
- 562125
- DTXSID
DTXSID40340154
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 548.554 · 548.554±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.173 · 1.173±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.328 · 2.328±0.10(predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…