CAS No.36226-32-1,1-(3-PYRIDYLMETHYL)UREA, 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36226-32-1
Name:	1-(3-PYRIDYLMETHYL)UREA, 98
Article Data:	4

Formula:	C₇H₉N₃O
Molecular Weight:	151.168
Synonyms:	Urea,(3-pyridinylmethyl)- (9CI);1-(3-Pyridylmethyl)urea;
EINECS:	252-928-2
Density:	1.208g/cm³
Melting Point:	181-183 °C(lit.)
Boiling Point:	321.3 °C at 760 mmHg
Flash Point:	148.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	68.01000
LogP:	1.34110

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Specification

The Urea,N-(3-pyridinylmethyl)-, with CAS registry number 36226-32-1, has the systematic name of 1-(pyridin-3-ylmethyl)urea. Besides this, it is also called 1-(3-Pyridylmethyl)urea, 98. And the chemical formula of this chemical is C₇H₉N₃O. What's more, its EINECS is 252-928-2.

Physical properties of Urea,N-(3-pyridinylmethyl)-: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.68; (8)ACD/KOC (pH 7.4): 9.15; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.44 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 41.05 cm³; (15)Molar Volume: 125 cm³; (16)Polarizability: 16.27×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 56.3 kJ/mol; (21)Boiling Point: 321.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000301 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Urea,N-(3-pyridinylmethyl)- 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: O=C(NCc1cccnc1)N
(2)InChI: InChI=1/C7H9N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)
(3)InChIKey: PWHUPFOHNXWYSH-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H9N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)
(5)Std. InChIKey: PWHUPFOHNXWYSH-UHFFFAOYSA-N