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39615-79-7

Basic Information
CAS No.: 39615-79-7
Name: Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]-
Article Data: 10
Cas Database
Molecular Structure:
Molecular Structure of 39615-79-7 (Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]-)
Formula: C6H9N3O2
Molecular Weight: 155.156
Synonyms: N,N'-Dimethyl-N-cyanoacetylurea;N-(Cyanoacetyl)-N,N'-dimethylurea;1,3-Dimethyl(cyanoacetyl)urea;2-Cyano-N-methyl-N-((methylamino)carbonyl)acetamide;2-Cyano-N-methyl-N-(methylcarbamoyl)acetamide;
EINECS: 254-541-4
Density: 1.181 g/cm3
Melting Point: 77℃ (water )
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 76.69000
LogP: -0.09772
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    The Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]-, with the CAS registry number 39615-79-7, is also known as 1,3-Dimethyl(cyanoacetyl)urea. Its EINECS number is 254-541-4. This chemical's molecular formula is C6H9N3O2 and molecular weig

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Specification

The Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]-, with the CAS registry number 39615-79-7, is also known as 1,3-Dimethyl(cyanoacetyl)urea. Its EINECS number is 254-541-4. This chemical's molecular formula is C6H9N3O2 and molecular weight is 155.15. What's more, its systematic name is 2-cyano-N-methyl-N-(methylcarbamoyl)acetamide.

Physical properties of Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]- are: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -3.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.41 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.13 cm3; (15)Molar Volume: 131.2 cm3; (16)Polarizability: 14.72×10-24 cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.181 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(N(C(=O)NC)C)CC#N
(2)InChI: InChI=1/C6H9N3O2/c1-8-6(11)9(2)5(10)3-4-7/h3H2,1-2H3,(H,8,11)
(3)InChIKey: DBEIAMRYPAJZHO-UHFFFAOYAE