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CAS No.: | 56129-55-6 |
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Name: | 1-PYRIDIN-3-YL-ETHYLAMINE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C7H10N2 |
Molecular Weight: | 122.17 |
Synonyms: | Pyridine,3-(1-aminoethyl)- (7CI);(?à)-1-(3-Pyridyl)ethylamine;(?à)-3-(1-Aminoethyl)pyridine;1-(3-Pyridyl)ethylamine;1-(3'-Pyridyl)-1-aminoethane;1-(Pyridin-3-yl)ethanamine;3-(1-Aminoethyl)pyridine;[1-(Pyridin-3-yl)ethyl]amine; |
Density: | 1.018 g/cm3 |
Melting Point: | 63 °C |
Boiling Point: | 221 °C at 760 mmHg |
Flash Point: | 108.1 °C |
Hazard Symbols: | TXi |
Risk Codes: | 25-41-43-37/38 |
Safety: | 26-36/37/39-45-39 |
PSA: | 38.91000 |
LogP: | 1.80160 |
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The 1-(3-Pyridyl)ethylamine, with CAS registry number of 56129-55-6, has the systematic name of 3-Pyridinemethylamine, alpha-methyl-. And its IUPAC name is 1-pyridin-3-ylethanamine. Besides this, it is also named 1-(3-Pyridyl)ethylamine, 96%.
Physical properties about this chemical are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -1.64; (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: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.43 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Enthalpy of Vaporization: 45.75 kJ/mol; (19)Vapour Pressure: 0.11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc(c1)C(N)C
(2)InChI: InChI=1/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
(3)InChIKey: IQVQNBXPYJGNEA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
(5)Std. InChIKey: IQVQNBXPYJGNEA-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 476mg/kg (476mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. | |
mouse | LD50 | intravenous | 159mg/kg (159mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. |