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| CAS No.: | 5933-40-4 |
|---|---|
| Name: | (R)-(+)-N,ALPHA-DIMETHYLBENZYLAMINE |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Benzenemethanamine,N,a-dimethyl-, (R)-;Benzylamine, N,a-dimethyl-, (R)-(+)- (8CI);(1R)-N-Methyl-1-phenylethylamine;(R)-(+)-N-Methyl-1-phenylethylamine;(R)-N-Methyl-1-phenylethanamine;(R)-N-Methyl-1-phenylethylamine;(R)-N-Methyl-N-(a-methylbenzyl)amine;(R)-N-Methyl-a-methylbenzenemethanamine;(R)-N-Methyl-a-methylbenzylamine;(aR)-N,a-Dimethylbenzenemethanamine;D-(+)-N-Methyl-N-(a-phenylethyl)amine;N-Methyl-(R)-a-methylbenzylamine;N-Methyl-N-((1R)-1-phenylethyl)amine;R-(+)-N,a-Dimethylbenzylamine; |
| Density: | 0.911 g/cm3 |
| Melting Point: | 116°C (estimate) |
| Boiling Point: | 178.7 °C at 760 mmHg |
| Flash Point: | 61.6 °C |
| Appearance: | UN 2619 |
| Hazard Symbols: |
 C
|
| Risk Codes: | 20/21/22-34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 12.03000 |
| LogP: | 2.35790 |
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- Total:33 Page 1 of 1 1
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Specification
This chemical is called (1R)-N-methyl-1-phenylethanamine, and it can also be named as Benzenemethanamine, N,α-dimethyl-, (alphaR)-. With the molecular formula of C9H13N, its molecular weight is 135.21. The CAS registry number of this chemical is 5933-40-4. Additionally, its product categories are Heterocyclic Compounds; Chirals; Chiral Compound.
Other characteristics of the (1R)-N-methyl-1-phenylethanamine can be summarised as followings: (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)Density: 0.911 g/cm3; (19)Flash Point: 61.6 °C; (20)Enthalpy of Vaporization: 41.5 kJ/mol; (21)Boiling Point: 178.7 °C at 760 mmHg; (22)Vapour Pressure: 0.976 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contact with skin and if swallowed. It causes burns. Wear suitable protective clothing, gloves and eye/face protection if you use it. In case of contacting 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)[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-/m1/s1
3.InChIKey: RCSSHZGQHHEHPZ-MRVPVSSYBY