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CAS No.: | 3139-55-7 |
---|---|
Name: | (S)-(-)-1 1-DIPHENYL-2-AMINOPROPANE 97 |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C15H17N |
Molecular Weight: | 211.307 |
Synonyms: | Ethylamine,1-methyl-2,2-diphenyl- (6CI,7CI,8CI);1,1-diphenyl-2-aminopropane;NSC 17143;alpha-methyl-beta-phenylbenzeneethanamine; |
Density: | 1.022 g/cm3 |
Melting Point: | 78-82 °C(lit.) |
Boiling Point: | 324.161 °C at 760 mmHg |
Flash Point: | 150.039 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.02000 |
LogP: | 3.86600 |
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The CAS register number of Benzeneethanamine, a-methyl-b-phenyl- is 3139-55-7. It also can be called as alpha-methyl-beta-phenylbenzeneethanamine and the IUPAC name about this chemical is 1,1-diphenylpropan-2-amine. The molecular formula about this chemical is C15H17N and the molecular weight is 211.30218.
Physical properties about Benzeneethanamine, a-methyl-b-phenyl- are: (1)ACD/LogP: 2.88; (2)#H bond acceptors: 1; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 26.02 Å2; (6)Index of Refraction: 1.575; (7)Molar Refractivity: 68.33 cm3; (8)Molar Volume: 206.651 cm3; (9)Polarizability: 27.088x10-24cm3; (10)Surface Tension: 41.018 dyne/cm; (11)Density: 1.022 g/cm3; (12)Flash Point: 150.039 °C; (13)Enthalpy of Vaporization: 56.616 kJ/mol; (14)Boiling Point: 324.161 °C at 760 mmHg.
Preparation: this chemical can be prepared by 1,1-diphenyl-propene. This reaction will need reagents of p-dicyanobenzene, NH3 and solvent of acetonitrile. The reaction needs irradiation. The yield is about 44%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H](C(c1ccccc1)c2ccccc2)C
(2)InChI: InChI=1/C15H17N/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,16H2,1H3/t12-/m0/s1
(3)InChIKey: XNKICCFGYSXSAI-LBPRGKRZBG
(4)Std. InChI: InChI=1S/C15H17N/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,16H2,1H3/t12-/m0/s1
(5)Std. InChIKey: XNKICCFGYSXSAI-LBPRGKRZSA-N
The toxicity data are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 68mg/kg (68mg/kg) | Pharmazie. Vol. 28, Pg. 677, 1973. |