1-Piperazineacetonitrile,4-methyl- supplier

Name
1-(4-METHYLPIPERAZINE)ACETONITRILE
EINECS
CAS No. 874-77-1
Density 0.998g/cm³
Solubility
Melting Point
Formula C₇H₁₃N₃
Boiling Point 230.152 °C at 760 mmHg
Molecular Weight 139.2
Flash Point 89.486 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 4-METHYL-1-PIPERAZINEACETONITRILE;1-(4-METHYLPIPERAZINE)ACETONITRILE
PSA 30.27000
LogP -0.36682

1-Piperazineacetonitrile,4-methyl- Specification

The 1-Piperazineacetonitrile,4-methyl-, with CAS registry number 874-77-1, has the systematic name of (4-methylpiperazin-1-yl)acetonitrile. Besides this, it is also called 1-(4-Methylpiperazine)acetonitrile. And the chemical formula of this chemical is C₇H₁₃N₃.

Physical properties of 1-Piperazineacetonitrile,4-methyl-: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.27 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 39.528 cm³; (15)Molar Volume: 139.527 cm³; (16)Polarizability: 15.67×10^-24cm³; (17)Surface Tension: 36.431 dyne/cm; (18)Density: 0.998 g/cm³; (19)Flash Point: 89.486 °C; (20)Enthalpy of Vaporization: 46.678 kJ/mol; (21)Boiling Point: 230.152 °C at 760 mmHg; (22)Vapour Pressure: 0.067 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCN1CCN(CC1)C
(2)InChI: InChI=1/C7H13N3/c1-9-4-6-10(3-2-8)7-5-9/h3-7H2,1H3
(3)InChIKey: XCUQQNRWWCWVOP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H13N3/c1-9-4-6-10(3-2-8)7-5-9/h3-7H2,1H3
(5)Std. InChIKey: XCUQQNRWWCWVOP-UHFFFAOYSA-N

Product Name

1-(4-METHYLPIPERAZINE)ACETONITRILE

1-Piperazineacetonitrile,4-methyl- Specification

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