trans-2-amino-N-(4-hydroxycyclohexyl)benzamide
Basic information
- CAS
15942-11-7- Standard SMILES
Nc1ccccc1C(=O)NC1CCC(O)CC1- InChIKey
RODNVULEJJJVHO-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- trans-2-amino-N-(4-hydroxycyclohexyl)benzamide
- IUPAC
- 2-amino-N-(4-hydroxycyclohexyl)benzamide
- English name
- trans-2-amino-N-(4-hydroxycyclohexyl)benzamide
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
15942-11-7trans-2-Amino-N-(4-hydroxycyclohexyl)benzamideEINECS 240-076-4DTXSID40166654RefChem:190594DTXCID0089145240-076-42-amino-N-(4-hydroxycyclohexyl)benzamide2-amino-n-((1r,4r)-4-hydroxycyclohexyl)benzamideAmbroxol Impurity 16954263-58-2Benzamide, 2-amino-N-(4-hydroxycyclohexyl)-, trans- (9CI)
Show more names
Ambroxol-15(1s,4s)-4-((2-aminobenzyl)amino)cyclohexanol2-amino-N-(4-hydroxycyclohexyl)-, trans- (9CI)2-Amino-N-[(1α,4β)-4-hydroxycyclohexyl]benzamideRel-2-amino-N-[(1R,4R)-4-hydroxycyclohexyl]benzamide
2-Amino-N-(trans-4-hydroxycyclohexyl)benzamide2-amino-N-[(1r,4r)-4-hydroxycyclohexyl]benzamideSCHEMBL2771765SCHEMBL2771766CHEMBL4927724SCHEMBL28510668RODNVULEJJJVHO-MGCOHNPYSA-NQAA94211
Database identifiers
- CAS
15942-11-7- PubChem CID
- 85198
- DTXSID
DTXSID40166654- ChEMBL
CHEMBL4927724- EC Number
- 240-076-4
- Nikkaji
- J219.906H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 476.5 · 476.5±40.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 14.05 · 14.05±0.40(Predicted)
- InChI
- InChI=1S/C13H18N2O2/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(16)8-6-9/h1-4,9-10,16H,5-8,14H2,(H,15,17)/t9-,10-
- InChIKey
- RODNVULEJJJVHO-MGCOHNPYSA-N
- SMILES
- C(N[C@@H]1CC[C@@H](O)CC1)(=O)C1=CC=CC=C1N
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