CAS No.5221-62-5,N-PROP-2-YNYLUREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5221-62-5
Name:	N-PROP-2-YNYLUREA
Article Data:	4

Formula:	C₄H₆N₂O
Molecular Weight:	98.1044
Synonyms:	Urea,2-propynyl- (6CI,7CI,8CI,9CI);2-Propynylurea;N-Propargylurea;
Density:	1.115g/cm³
Melting Point:	130 °C
Boiling Point:	181.629 °C at 760 mmHg
Flash Point:	63.647 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.12000
LogP:	0.37910

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Specification

The Urea, N-2-propyn-1-yl-, with CAS registry number 5221-62-5, has the systematic name of prop-2-ynylurea. Besides this, it is also called N-prop-2-ynylurea. And the chemical formula of this chemical is C₄H₆N₂O. Its molecular weight is 98.1.

Physical properties of Urea, N-2-propyn-1-yl-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.854; (5)ACD/KOC (pH 7.4): 16.853; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.12 Å²; (10)Index of Refraction: 1.493; (11)Molar Refractivity: 25.568 cm³; (12)Molar Volume: 87.94 cm³; (13)Polarizability: 10.136×10^-24cm³; (14)Surface Tension: 48.728 dyne/cm; (15)Density: 1.116 g/cm³; (16)Flash Point: 63.647 °C; (17)Enthalpy of Vaporization: 41.789 kJ/mol; (18)Boiling Point: 181.629 °C at 760 mmHg; (19)Vapour Pressure: 0.844 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Urea, N-2-propyn-1-yl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C#CCNC(=O)N
(2)InChI: InChI=1/C4H6N2O/c1-2-3-6-4(5)7/h1H,3H2,(H3,5,6,7)
(3)InChIKey: LJPYJRMMPVFEKR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h1H,3H2,(H3,5,6,7)
(5)Std. InChIKey: LJPYJRMMPVFEKR-UHFFFAOYSA-N