6-(Hydroxymethyl)pyridine-3-carbonitrile supplier

Name
6-(HYDROXYMETHYL)NICOTINONITRILE
EINECS
CAS No. 31795-61-6
Article Data6
CAS DataBase
Density 1.257 g/cm³
Solubility
Melting Point
Formula C₇H₆N₂O
Boiling Point 303.144 °C at 760 mmHg
Molecular Weight 134.137
Flash Point 137.137 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(Hydroxymethyl)nicotinonitrile;
PSA 56.91000
LogP 0.44558

6-(Hydroxymethyl)pyridine-3-carbonitrile Specification

The 3-Pyridinecarbonitrile, 6-(hydroxymethyl)-, with the CAS registry number 31795-61-6, is also known as 6-(Hydroxymethyl)nicotinonitrile. This chemical's molecular formula is C₇H₆N₂O and molecular weight is 134.05. What's more, its IUPAC name is called 6-(Hydroxymethyl)pyridine-3-carbonitrile.

Physical properties about 3-Pyridinecarbonitrile, 6-(hydroxymethyl)- are: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 10.16; (8)ACD/KOC (pH 7.4): 10.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.91 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.279 cm³; (15)Molar Volume: 106.708 cm³; (16)Polarizability: 13.986×10^-24cm³; (17)Surface Tension: 65.76 dyne/cm; (18)Density: 1.257 g/cm³; (19)Flash Point: 137.137 °C; (20)Enthalpy of Vaporization: 57.381 kJ/mol; (21)Boiling Point: 303.144 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ncc1C#N)CO
(2) InChI: InChI=1S/C7H6N2O/c8-3-6-1-2-7(5-10)9-4-6/h1-2,4,10H,5H2
(3) InChIKey: KRCJWYXQNALNSP-UHFFFAOYSA-N

Product Name

6-(HYDROXYMETHYL)NICOTINONITRILE

6-(Hydroxymethyl)pyridine-3-carbonitrile Specification

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