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Name |
3-Pyridinebutanamine, a-methyl-, (S)- (9CI) |
EINECS | N/A |
CAS No. | 111954-73-5 | Density | 0.971 g/cm3 |
PSA | 38.91000 | LogP | 2.45180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H16N2 | Boiling Point | 284.3 °C at 760 mmHg |
Molecular Weight | 164.2474 | Flash Point | 146.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2S)-5-Pyridin-3-ylpentan-2-amine; |
Article Data | 5 |
The CAS registry number of 3-Pyridinebutanamine, a-methyl-, (S)- (9CI) is 111954-73-5. This chemical's molecular formula is C10H16N2 and molecular weight is 164.2474. What's more, its systematic name is called (2S)-5-Pyridin-3-ylpentan-2-amine.
Physical properties about 3-Pyridinebutanamine, a-methyl-, (S)- (9CI) are: (1)ACD/LogP: 1.21; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 38.91 Å2; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 51.28 cm3; (13)Molar Volume: 169 cm3; (14)Polarizability: 20.33×10-24 cm3; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 0.971 g/cm3; (17)Flash Point: 146.4 °C; (18)Enthalpy of Vaporization: 52.33 kJ/mol; (19)Boiling Point: 284.3 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H](N)CCCc1cccnc1
(2) InChI: InChI=1/C10H16N2/c1-9(11)4-2-5-10-6-3-7-12-8-10/h3,6-9H,2,4-5,11H2,1H3/t9-/m0/s1
(3) InChIKey: FVWVJTJAALVOQO-VIFPVBQEBJ