4-(1H-Imidazol-1-ylmethyl)aniline supplier

Name
4-(1H-Imidazol-1-ylmethyl)aniline
EINECS
CAS No. 56643-85-7
Article Data10
CAS DataBase
Density 1.16g/cm³
Solubility
Melting Point 128-130°C
Formula C₁₀H₁₁N₃
Boiling Point 387.6 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 188.2 °C
Transport Information
Appearance
Safety 22-26-36/37/39-45
Risk Codes 20/21/22-34
Molecular Structure
Hazard Symbols C
Synonyms 1-(4-Aminobenzyl)-1H-imidazole;1-(4-Aminobenzyl)imidazole;1-(p-Aminobenzyl)imidazole;4-(1-Imidazolylmethyl)aniline;4-(1H-Imidazol-1-ylmethyl)aniline;[4-[(Imidazol-1-yl)methyl]phenyl]amine;
PSA 43.84000
LogP 2.09480

4-(1H-Imidazol-1-ylmethyl)aniline Specification

The 4-(1H-Imidazol-1-ylmethyl)aniline with the CAS number 56643-85-7 is also called Benzenamine,4-(1H-imidazol-1-ylmethyl)-. The IUPAC name is 4-(imidazol-1-ylmethyl)aniline. Its molecular formula is C₁₀H₁₁N₃. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 21.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 52.45 cm³; (15)Molar Volume: 148.7 cm³; (16)Polarizability: 20.79×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 63.67 kJ/mol; (19)Vapour Pressure: 3.26×10^-6 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It can causes burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then you should not breathe dust. Finally, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn(c1)Cc2ccc(N)cc2
(2)InChI: InChI=1/C10H11N3/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7,11H2
(3)InChIKey: DGHAOTHIDTUSJY-UHFFFAOYAO

Product Name

4-(1H-Imidazol-1-ylmethyl)aniline

4-(1H-Imidazol-1-ylmethyl)aniline Specification

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