Hexylamine, 3,3-diphenyl-4-imino-N,N,1-trimethyl-
Basic information
- CAS
14474-50-1- Standard SMILES
CCC(=N)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1- InChIKey
IYMWICAKQRYMNI-UHFFFAOYSA-N- Molecular formula
- C21H28N2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.2252489
Names & identifiers
- Preferred name
- Hexylamine, 3,3-diphenyl-4-imino-N,N,1-trimethyl-
- IUPAC
- 5-imino-N,N-dimethyl-4,4-diphenylheptan-2-amine
- English name
- 5-Imino-N,N-dimethyl-4,4-diphenylheptan-2-amine
- Molecular formula
- C21H28N2
- Molecular weight
- 308.46
Names & synonyms
14474-50-1HEXYLAMINE, 3,3-DIPHENYL-4-IMINO-N,N,1-TRIMETHYL-RefChem:1086677Methadone Ketimine5-imino-N,N-dimethyl-4,4-diphenylheptan-2-amineBRN 2815832Methadone Ketimine (1mg/ml in Acetonitrile)3,3-Diphenyl-4-imino-N,N,1-trimethylhexylamine(1-Iminopropyl)-N,N,a-trimethyl-?-phenylbenzenepropanamine; 4-Imino-N,N,1-trimethyl-3,3-diphenylhexylamine4-Imino-N,N,1-trimethyl-3,3-diphenylhexylamineDTXSID901381488Methadone Ketimine (1 mg/ml in Acetonitrile)
Show more names
Rosuvastatin Impurity 189Benzenepropanamine, γ-(1-iminopropyl)-N,N,α-trimethyl-γ-phenyl-
Controlled Substance<br>(Methadone Impurity 35)
Database identifiers
- CAS
14474-50-1- PubChem CID
- 21435
- DTXSID
DTXSID901381488- Nikkaji
- J49.443G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 471.4 · 471.4±45.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- solubility
- Dichloromethnae (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- pka
- 9.4 · 9.40±0.70(Predicted)
- form
- Solid
- color
- White to Pale Yellow
Chemistry & industry
Applications
UsesAn intermediate of Methadone (M225865) (Amidone).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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