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| CAS No.: | 19131-99-8 |
|---|---|
| Name: | (S)-(-)-N,ALPHA-DIMETHYLBENZYLAMINE |
| Article Data: | 27 |
| Molecular Structure: | |
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|
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Benzenemethanamine,N,a-dimethyl-, (S)-;Benzylamine, N,a-dimethyl-, (S)-(-)- (8CI);(1S)-N-Methyl-1-phenylethylamine;(S)-(-)-N-Methyl-1-phenylethylamine;(S)-Methyl(1-phenylethyl)amine;(S)-N,a-Dimethylbenzenemethanamine;(S)-N,a-Dimethylbenzylamine;(S)-N-Methyl-1-phenylethylamine;(S)-N-Methyl-a-methylbenzylamine;(S)-a,N-Dimethylbenzylamine;N-Methyl-(S)-1-phenylethylamine;N-Methyl-(S)-a-phenylethylamine;N-Methyl-N-((aS)-a-methylbenzyl)amine;N-Methyl-N-[(1S)-1-phenylethyl]amine;S-(-)-N,a-Dimethylbenzylamine; |
| Density: | 0.911g/cm3 |
| Melting Point: | 116°C (estimate) |
| Boiling Point: | 178.7 °C at 760 mmHg |
| Flash Point: | 61.6 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 20/21/22-34 |
| Safety: | 26-36-45 |
| Transport Information: | UN 2619 |
| PSA: | 12.03000 |
| LogP: | 2.35790 |
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Specification
The (S)-(-)-N-Methyl-1-phenylethylamine with the CAS number 19131-99-8 is also called Benzenemethanamine, N,a-dimethyl-, (aS)-. Both the systematic name and IUPAC name are (1S)-N-methyl-1-phenylethanamine. Its molecular formula is C9H13N. The product category is Chiral Compound.
The properties of the (S)-(-)-N-Methyl-1-phenylethylamine are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Enthalpy of Vaporization: 41.5 kJ/mol; (19)Vapour Pressure: 0.976 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N(C)[C@H](c1ccccc1)C
(2)InChI: InChI=1/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
(3)InChIKey: RCSSHZGQHHEHPZ-QMMMGPOBBW