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CAS No.: | 503417-37-6 |
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Name: | Cyclopropanamine, 1-(2-pyridinyl)- (9CI) |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H10N2 |
Molecular Weight: | 134.181 |
Synonyms: | 1-Pyridin-2-ylcyclopropanamine; |
Density: | 1.15 g/cm3 |
Melting Point: | 62ºC |
Boiling Point: | 238.782 °C at 760 mmHg |
Flash Point: | 121.322 °C |
PSA: | 38.91000 |
LogP: | 1.72970 |
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The CAS registry number of Cyclopropanamine, 1-(2-pyridinyl)- (9CI) is 503417-37-6. It belongs to the product categories of Pyridine. This chemical's molecular formula is C8H10N2 and molecular weight is 134.1784. What's more, its systematic name is 1-Pyridin-2-ylcyclopropanamine.
Physical properties about Cyclopropanamine, 1-(2-pyridinyl)- (9CI) are: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): 0; (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): 13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 39.829 cm3; (15)Molar Volume: 116.65 cm3; (16)Polarizability: 15.789×10-24 cm3; (17)Surface Tension: 57.997 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 121.322 °C; (20)Enthalpy of Vaporization: 47.565 kJ/mol; (21)Boiling Point: 238.782 °C at 760 mmHg; (22)Vapour Pressure: 0.042 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccccc1C2(N)CC2
(2) InChI: InChI=1/C8H10N2/c9-8(4-5-8)7-3-1-2-6-10-7/h1-3,6H,4-5,9H2
(3) InChIKey: HRVLXTZHPZXHTR-UHFFFAOYAT