2-[(N,N-Dibenzylamino)methyl]cyclohexanone hydrochloride
Basic information
- CAS
102596-84-9- Standard SMILES
Cl.O=C1CCCCC1CN(Cc1ccccc1)Cc1ccccc1- InChIKey
VTLHJZKKRMZUPQ-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1702921
Names & identifiers
- Preferred name
- 2-[(N,N-Dibenzylamino)methyl]cyclohexanone hydrochloride
- IUPAC
- 2-[(dibenzylamino)methyl]cyclohexan-1-one;hydrochloride
- English name
- 2-[(N,N-Dibenzylamino)methyl]cyclohexanone, hydrochloride
- Molecular formula
- C21H26ClNO
- Molecular weight
- 343.89
Names & synonyms
102596-84-92-[(N,N-DIBENZYLAMINO)METHYL]CYCLOHEXANONE HYDROCHLORIDE2-((Dibenzylamino)methyl)cyclohexanone hydrochlorideNSC 6573072-[(dibenzylamino)methyl]cyclohexan-1-one;hydrochloride2-[[Bis(phenylmethyl)amino]methyl]cyclohexanone HydrochlorideNSC657307DTXSID70327453NSC38536NSC-38536AKOS027446428NSC-657307
Show more names
2-(Dibenzylaminomethyl)cyclohexanone hydrochloride2-[(N,N-Dibenzylamino)methyl]cyclohexanone, hydrochloride
DB-3026402-[(Dibenzylamino)methyl]cyclohexan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
102596-84-9- PubChem CID
- 376401
- DTXSID
DTXSID70327453
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 242 · 242-244°C
- solubility
- Dichloromethane, Ethanol, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesUsed in asymmetric Mannich reactions by α-silyl controlled aminomethylation of ketones.
Uses2-[(N,N-Dibenzylamino)methyl]cyclohexanone Hydrochloride is used in asymmetric Mannich reactions by α-silyl controlled aminomethylation of ketones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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