CAS No.21729-98-6,Methylcyanocarbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21729-98-6
Name:	Methylcyanocarbamate
Article Data:	8

Formula:	C₃H₄N₂O₂
Molecular Weight:	100.077
Synonyms:	Carbamicacid, cyano-, methyl ester (8CI,9CI);Carbomethoxycyanamide;Methoxycarbonylcyanamide;Methyl N-cyanocarbamate;Methyl cyanamidoformate;Methyl cyanocarbamate;
EINECS:	244-548-0
Density:	1.195 g/cm³
Boiling Point:	172.4 °C at 760 mmHg
Flash Point:	58.1 °C
PSA:	62.12000
LogP:	0.21438

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Specification

The Carbamic acid,N-cyano-, methyl ester, with CAS registry number 21729-98-6, has the systematic name of methyl cyanocarbamate. Besides this, it is also called Methylcyanocarbamate. And the chemical formula of this chemical is C₃H₄N₂O₂. What's more, its EINECS is 244-548-0.

Physical properties of Carbamic acid,N-cyano-, methyl ester: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -2.41; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 21.23 cm³; (15)Molar Volume: 83.7 cm³; (16)Polarizability: 8.41×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.195 g/cm³; (19)Flash Point: 58.1 °C; (20)Enthalpy of Vaporization: 47.59 kJ/mol; (21)Boiling Point: 172.4 °C at 760 mmHg; (22)Vapour Pressure: 0.421 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CNC(=O)OC
(2)InChI: InChI=1/C3H4N2O2/c1-7-3(6)5-2-4/h1H3,(H,5,6)
(3)InChIKey: ZSYJMXLJNPEAGP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C3H4N2O2/c1-7-3(6)5-2-4/h1H3,(H,5,6)
(5)Std. InChIKey: ZSYJMXLJNPEAGP-UHFFFAOYSA-N