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| CAS No.: | 229323-07-3 |
|---|---|
| Name: | (S)-3-AMINOMETHYL-1-BENZYLPYRROLIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C12H18N2 |
| Molecular Weight: | 190.288 |
| Synonyms: | (3S)-3-Aminomethyl-1-benzylpyrrolidine; |
| Density: | 1.041 g/cm3 |
| Boiling Point: | 284.285 °C at 760 mmHg |
| Flash Point: | 115.308 °C |
| PSA: | 29.26000 |
| LogP: | 2.10540 |
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- Total:30 Page 1 of 1 1
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Specification
The 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3S)-, with the CAS registry number 229323-07-3, is also known as (3S)-3-Aminomethyl-1-benzylpyrrolidine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H18N2 and molecular weight is 190.28472. Its IUPAC name is called [(3S)-1-benzylpyrrolidin-3-yl]methanamine.
Physical properties of 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3S)-: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): -2.9; (3)ACD/LogD (pH 7.4): -2.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 59.4 cm3; (13)Molar Volume: 182.8 cm3; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.04 g/cm3; (16)Flash Point: 115.3 °C; (17)Enthalpy of Vaporization: 52.33 kJ/mol; (18)Boiling Point: 284.3 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC1CN)CC2=CC=CC=C2
(2)Isomeric SMILES: C1CN(C[C@@H]1CN)CC2=CC=CC=C2
(3)InChI: InChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2/t12-/m0/s1
(4)InChIKey: SUAKIVNGQVUKJA-LBPRGKRZSA-N