5-Methyl-[1,4]diazepane supplier

Name
5-Methyl-[1,4]diazepane
EINECS
CAS No. 22777-05-5
Density 0.838g/cm³
Solubility
Melting Point
Formula C₆H₁₄N₂
Boiling Point 174.5 °C at 760 mmHg
Molecular Weight 114.191
Flash Point 61.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-[1,4]diazepane;
PSA 24.06000
LogP 0.61540

5-Methyl-[1,4]diazepane Specification

The 5-Methyl-[1,4]diazepane with the cas number 22777-05-5 is also called 1H-1,4-Diazepine,hexahydro-5-methyl-. Both the systematic name and IUPAC name are 5-methyl-1,4-diazepane. Its molecular formula is C₆H₁₄N₂. The product category is pharmacetical.

The properties of the chemical are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 24.06 Å²; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 34.46 cm³; (13)Molar Volume: 136.2 cm³; (14)Polarizability: 13.66×10^-24cm³; (15)Surface Tension: 25.1 dyne/cm; (16)Enthalpy of Vaporization: 41.08 kJ/mol; (17)Vapour Pressure: 1.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCNCCN1
(2)InChI: InChI=1/C6H14N2/c1-6-2-3-7-4-5-8-6/h6-8H,2-5H2,1H3
(3)InChIKey: PCSCFJLGJHWKJL-UHFFFAOYAD

Product Name

5-Methyl-[1,4]diazepane

5-Methyl-[1,4]diazepane Specification

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