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| CAS No.: | 885266-91-1 |
|---|---|
| Name: | 2-AMINO-4-(1'HYDROXYETHYL)-PYRIDINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H10N2O |
| Molecular Weight: | 138.169 |
| Synonyms: | 1-(2-Amino-pyridin-4-yl)-ethanol;4-Pyridinemethanol, 2-amino-α-methyl-; |
| Density: | 1.191 g/cm3 |
| Boiling Point: | 322.7 °C at 760 mmHg |
| Flash Point: | 149 °C |
| PSA: | 59.14000 |
| LogP: | 1.29830 |
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- Total:21 Page 1 of 1 1
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Specification
The systematic name of 2-Amino-4-(1'-hydroxyethyl)pyridine is 1-(2-aminopyridin-4-yl)ethanol. With the CAS registry number 885266-91-1, it is also named as 4-Pyridinemethanol, 2-amino-α-methyl-. In addition, its molecular formula is C7H10N2O and molecular weight is 138.17.
The other characteristics of 2-Amino-4-(1'-hydroxyethyl)pyridine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 12.24; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 59.14 Å2; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 39.66 cm3; (12)Molar Volume: 116 cm3; (13)Polarizability: 15.72×10-24cm3; (14)Surface Tension: 57.3 dyne/cm; (15)Density: 1.191 g/cm3; (16)Flash Point: 149 °C; (17)Enthalpy of Vaporization: 59.6 kJ/mol; (18)Boiling Point: 322.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000113 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: OC(C)c1ccnc(N)c1
(2)InChI: InChI=1/C7H10N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-5,10H,1H3,(H2,8,9)
(3)InChIKey: GCMMYIYEKSCNRT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H10N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-5,10H,1H3,(H2,8,9)
(5)Std. InChIKey: GCMMYIYEKSCNRT-UHFFFAOYSA-N