Basic information
- CAS
3139-55-7- Standard SMILES
CC(N)C(c1ccccc1)c1ccccc1- InChIKey
XNKICCFGYSXSAI-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609955
Names & identifiers
- Preferred name
- alpha-Methyl-beta-phenylbenzeneethanamine
- IUPAC
- 1,1-diphenylpropan-2-amine
- English name
- (S)-(-)-1 1-DIPHENYL-2-AMINOPROPANE 97
- Molecular formula
- C15H17N
- Molecular weight
- 211.3
Names & synonyms
3139-55-7DPA 11,1-Diphenyl-2-aminopropanealpha-Methyl-beta-phenylbenzeneethanamineNSC 17143alpha-Methyl-beta-phenyl-phenethylamineBenzeneethanamine, alpha-methyl-beta-phenyl-Phenethylamine, alpha-methyl-beta-phenyl-RefChem:318465Benzeneethanamine, alpha-methyl-beta-phenyl-(9CI)1,1-diphenylpropan-2-amine(s)-1-methyl-2,2-diphenyl-ethylamine
Show more names
dpa1Benzeneethanamine, α-methyl-β-phenyl-alpha-methyl-beta-phenyl-phenethylamin(S)-(-)-1 1-DIPHENYL-2-AMINOPROPANE 97alpha-methyl-beta-phenyl-benzeneethanamin
CHEMBL10621SCHEMBL1168170SCHEMBL6599420SCHEMBL28234759DTXSID301296918NSC17143NSC-17143AKOS000132637
Database identifiers
- CAS
3139-55-7- PubChem CID
- 95090
- DTXSID
DTXSID301296918- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 78 · 78-82 °C(lit.)
- Boiling point
- 174 · 174-180 °C(Press: 20 Torr)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- pka
- 9.21 · 9.21±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Toxicity
- 50 · mouse,LD50,intraperitoneal,68mg/kg (68mg/kg),Pharmazie. Vol. 28, Pg. 677, 1973.
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
- wgk
- 3
- Toxicity
- mouse,LD50,intraperitoneal,68mg/kg (68mg/kg),Pharmazie. Vol. 28, Pg. 677, 1973.
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Suppliers1 total
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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