-
Name
Cyanomethylurea
- EINECS 227-736-7
- CAS No. 5962-07-2
- Article Data6
- CAS DataBase
- Density 1.222g/cm3
- Solubility
- Melting Point
- Formula C3H5N3O
- Boiling Point 264.6 °C at 760 mmHg
- Molecular Weight 99.0922
- Flash Point 113.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (Cyanomethyl)urea;Urea,(cyanomethyl)-;
- PSA 78.91000
- LogP 0.26948
Cyanomethylurea Specification
The Cyanomethylurea, with CAS registry number 5962-07-2, has the systematic name of 1-(cyanomethyl)urea. Besides this, it is also called urea, N-(cyanomethyl)-. And the chemical formula of this chemical is C3H5N3O. What's more, its EINECS is 227-736-7.
Physical properties of : (1)ACD/LogP: -1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.65; (8)ACD/KOC (pH 7.4): 2.65; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.34 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 23.02 cm3; (15)Molar Volume: 81 cm3; (16)Polarizability: 9.12×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Enthalpy of Vaporization: 50.24 kJ/mol; (19)Vapour Pressure: 0.00964 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCNC(=O)N
(2)InChI: InChI=1/C3H5N3O/c4-1-2-6-3(5)7/h2H2,(H3,5,6,7)
(3)InChIKey: OYJHKYGWYYYRBV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C3H5N3O/c4-1-2-6-3(5)7/h2H2,(H3,5,6,7)
(5)Std. InChIKey: OYJHKYGWYYYRBV-UHFFFAOYSA-N
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