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Name |
3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3R)- |
EINECS | N/A |
CAS No. | 229323-04-0 | Density | 1.04 g/cm3 |
PSA | 29.26000 | LogP | 2.10540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H18N2 | Boiling Point | 284.3 °C at 760 mmHg |
Molecular Weight | 190.288 | Flash Point | 115.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-(1-Benzylpyrrolidin-3-yl)methylamine; |
Article Data | 1 |
The 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3R)-, with the CAS registry number 229323-04-0, is also known as 1-[(3R)-1-Benzylpyrrolidin-3-yl]methanamine. 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 [(3R)-1-Benzylpyrrolidin-3-yl]methanamine.
Physical properties about 3-Pyrrolidinemethanamine,1-(phenylmethyl)-, (3R)- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -2.39; (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: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 59.4 cm3; (15)Molar Volume: 182.8 cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.04 g/cm3; (18)Flash Point: 115.3 °C; (19)Enthalpy of Vaporization: 52.33 kJ/mol; (20)Boiling Point: 284.3 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1)CN2C[C@H](CC2)CN
(2) InChI: InChI=1/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2/t12-/m1/s1
(3) InChIKey: SUAKIVNGQVUKJA-GFCCVEGCBG