Pyridine, 4-(methyl-d)- supplier

Name
4-METHYL-D1-PYRIDINE
EINECS
CAS No. 69046-49-7
Article Data6
CAS DataBase
Density 0.951 g/cm³
Solubility
Melting Point
Formula C₆H₆DN
Boiling Point 144.24 °C at 760 mmHg
Molecular Weight 94.1203
Flash Point 56.667 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-d₁-pyridine;
PSA 12.89000
LogP 1.39000

Pyridine, 4-(methyl-d)- 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

Product Name

4-METHYL-D1-PYRIDINE

Pyridine, 4-(methyl-d)- Specification

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