[3-(1H-Pyrazol-1-yl)phenyl]methylamine supplier

Name
3-PYRAZOL-1-YL-BENZYLAMINE
EINECS
CAS No. 687635-04-7
Article Data1
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁N₃
Boiling Point 320.8 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 147.8 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols C
Synonyms [3-(1H-Pyrazol-1-yl)phenyl]methylamine;
PSA 43.84000
LogP 2.03130

[3-(1H-Pyrazol-1-yl)phenyl]methylamine Specification

The CAS register number of [3-(1H-Pyrazol-1-yl)phenyl]methylamine is 687635-04-7. It also can be called as 3-Pyrazol-1-yl-Benzylamine and the IUPAC name about this chemical is (3-pyrazol-1-ylphenyl)methanamine. It belongs to the following product categories, such as Aminomethyl's, Phenyls & Phenyl-Het, Phenyls & Phenyl-Het and so on.

Physical properties about [3-(1H-Pyrazol-1-yl)phenyl]methylamine are: (1)ACD/LogP: 0.99; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 21.06Å²; (6)Index of Refraction: 1.622; (7)Molar Refractivity: 52.45 cm³; (8)Molar Volume: 148.7 cm³; (9)Polarizability: 20.79x10^-24cm³; (10)Surface Tension: 48.1 dyne/cm; (11)Enthalpy of Vaporization: 56.25 kJ/mol; (12)Boiling Point: 320.8 °C at 760 mmHg; (13)Vapour Pressure: 0.000311 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1c2cccc(c2)CN
(2)InChI: InChI=1/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
(3)InChIKey: YWZKZHCZKIKAAC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
(5)Std. InChIKey: YWZKZHCZKIKAAC-UHFFFAOYSA-N

Product Name

3-PYRAZOL-1-YL-BENZYLAMINE

[3-(1H-Pyrazol-1-yl)phenyl]methylamine Specification

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