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69046-49-7

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Basic Information
CAS No.: 69046-49-7
Name: 4-METHYL-D1-PYRIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 69046-49-7 (4-METHYL-D1-PYRIDINE)
Formula: C6H6DN
Molecular Weight: 94.1203
Synonyms: 4-Methyl-d1-pyridine;
Density: 0.951 g/cm3
Boiling Point: 144.24 °C at 760 mmHg
Flash Point: 56.667 °C
PSA: 12.89000
LogP: 1.39000
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  • Pyridine, 4-(methyl-d)-

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    Pyridine, 4-(methyl-d)-

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  • Pyridine, 4-(methyl-d)-

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    Pyridine, 4-(methyl-d)-

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Specification

The Pyridine, 4-(methyl-d)-, with the CAS registry number 69046-49-7, is also known as 4-Methyl-d1-pyridine. This chemical's molecular formula is C6H6DN and molecular weight is 94.13. What's more, its systematic name is 4-(2H1)Methylpyridine.

Physical properties about Pyridine, 4-(methyl-d)- are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.756; (4)ACD/LogD (pH 7.4): 1.315; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 5.831; (7)ACD/KOC (pH 5.5): 33.622; (8)ACD/KOC (pH 7.4): 121.758; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 29.169 cm3; (15)Molar Volume: 98.932 cm3; (16)Polarizability: 11.563×10-24 cm3; (17)Surface Tension: 34.098 dyne/cm; (18)Density: 0.951 g/cm3; (19)Flash Point: 56.667 °C; (20)Enthalpy of Vaporization: 37.51 kJ/mol; (21)Boiling Point: 144.24 °C at 760 mmHg; (22)Vapour Pressure: 6.465 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]Cc1ccncc1
(2) InChI: InChI=1/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3/i1D
(3) InChIKey: FKNQCJSGGFJEIZ-MICDWDOJEA