Basic information
- Name:
Urea,N-(3-pyridinylmethyl)-
- CAS No.:
36226-32-1
- Molecular Structure:
- Formula:
- C7H9N3O
- Molecular Weight:
- 151.16586
- 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 Description:
- 26-37/39 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
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