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1609-07-0

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Basic Information
CAS No.: 1609-07-0
Name: N-cyano-N'-methylguanidine
Article Data: 12
Molecular Structure:
Molecular Structure of 1609-07-0 (N-cyano-N'-methylguanidine)
Formula: C3H6N4
Molecular Weight: 98.1074
Synonyms: 1-Cyano-3-methylguanidine;N-Cyano-N'-methylguanidine;N-Methyl dicyanodiamide;N-Methyl-N'-cyanoguanidine;
EINECS: 216-539-1
Density: 1.18 g/cm3
Melting Point: 91-92 °C
Boiling Point: 182.6 °C at 760 mmHg
Flash Point: 64.2 °C
PSA: 71.70000
LogP: 0.09278
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Specification

The Guanidine,N-cyano-N'-methyl-, with the CAS registry number 1609-07-0, is also known as 3-Methylcyanoguanidine. Its EINECS number is 216-539-1. This chemical's molecular formula is C3H6N4 and molecular weight is 98.11. What's more, its IUPAC name is 1-Cyano-2-methylguanidine.

Physical properties of Guanidine,N-cyano-N'-methyl- are: (1)ACD/LogP: -0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.57; (8)ACD/KOC (pH 7.4): 8.58; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.63 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 26.11 cm3; (15)Molar Volume: 82.4 cm3; (16)Polarizability: 10.35×10-24 cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 64.2 °C; (20)Enthalpy of Vaporization: 41.89 kJ/mol; (21)Boiling Point: 182.6 °C at 760 mmHg; (22)Vapour Pressure: 0.803 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN=C(N)NC#N
(2)InChI: InChI=1S/C3H6N4/c1-6-3(5)7-2-4/h1H3,(H3,5,6,7)
(3)InChIKey: SIQWQBQGWREFSE-UHFFFAOYSA-N