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

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Name

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

EINECS N/A
CAS No. 56643-85-7 Density 1.16g/cm3
PSA 43.84000 LogP 2.09480
Solubility N/A 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 N/A Appearance N/A
Safety 22-26-36/37/39-45 Risk Codes 20/21/22-34
Molecular Structure Molecular Structure of 56643-85-7 (4-(1H-Imidazol-1-ylmethyl)aniline) Hazard Symbols CorrosiveC
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;

Article Data 10

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

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