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| CAS No.: | 181114-76-1 |
|---|---|
| Name: | 1-Benzyl-3-methylpyrrolidin-3-ylamine |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C12H18N2 |
| Molecular Weight: | 190.288 |
| Synonyms: | 3-Pyrrolidinamine, 3-methyl-1-(phenylmethyl)-; |
| Density: | 1.034 g/cm3 |
| Boiling Point: | 266.601 °C at 760 mmHg |
| Flash Point: | 107.28 °C |
| PSA: | 29.26000 |
| LogP: | 2.24790 |
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- Total:16 Page 1 of 1 1
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Specification
The 2-Oxazolamine,4,5-dihydro-4-methyl-5-phenyl-, (4R,5S)-rel-, with the CAS registry number 181114-76-1, is also known as 3-Pyrrolidinamine, 3-methyl-1-(phenylmethyl)-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H18N2 and molecular weight is 190.2847. What's more, its systematic name is called 1-Benzyl-3-methylpyrrolidin-3-amine.
Physical properties about 2-Oxazolamine,4,5-dihydro-4-methyl-5-phenyl-, (4R,5S)-rel- are: (1)ACD/LogP: 2.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (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; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.26 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 59.346 cm3; (15)Molar Volume: 184.074 cm3; (16)Polarizability: 23.527×10-24 cm3; (17)Surface Tension: 41.387 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 107.28 °C; (20)Enthalpy of Vaporization: 50.459 kJ/mol; (21)Boiling Point: 266.601 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1)CN2CCC(N)(C2)C
(2) InChI: InChI=1/C12H18N2/c1-12(13)7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6H,7-10,13H2,1H3
(3) InChIKey: GMZNKWUBDUKXRX-UHFFFAOYAC