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1H-Benzimidazol-2-amine,1-(phenylmethyl)-

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Name

1H-Benzimidazol-2-amine,1-(phenylmethyl)-

EINECS 256-130-5
CAS No. 43182-10-1 Density 1.2 g/cm3
PSA 43.84000 LogP 3.24800
Solubility N/A Melting Point 195-198 °C
Formula C14H13N3 Boiling Point 451.915 °C at 760 mmHg
Molecular Weight 223.277 Flash Point 227.11 °C
Transport Information N/A Appearance N/A
Safety 36/37/39-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 43182-10-1 (1-BENZYL-1H-BENZOIMIDAZOL-2-YLAMINE) Hazard Symbols HarmfulXn
Synonyms

Benzimidazole,2-amino-1-benzyl- (6CI);2-Amino-1-benzylbenzimidazole;2-Imino-1-benzyl-1,3-dihydrobenzimidazole;

Article Data 20

1H-Benzimidazol-2-amine,1-(phenylmethyl)- Specification

The 1H-Benzimidazol-2-amine,1-(phenylmethyl)-, with the CAS registry number 43182-10-1, is also known as 1-Benzyl-1H-benzimidazol-2-amine. It belongs to the product category of Pharmacetical. Its EINECS registry number is 256-130-5. This chemical's molecular formula is C14H13N3 and molecular weight is 223.27. What's more, its IUPAC name is called 1-Benzylbenzimidazol-2-amine. It is white to almost white fine crystalline powder.

Physical properties about 1H-Benzimidazol-2-amine,1-(phenylmethyl)- are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 26.28; (7)ACD/KOC (pH 5.5): 7.58; (8)ACD/KOC (pH 7.4): 269.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 68.34 cm3; (15)Molar Volume: 184.7 cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.2 g/cm3; (18)Flash Point: 227.1 °C; (19)Enthalpy of Vaporization: 71.1 kJ/mol; (20)Boiling Point: 451.9 °C at 760 mmHg; (21)Vapour Pressure: 2.34E-08 mmHg at 25 °C; (22)Melting Point: 195-198 °C.

Uses of 1H-Benzimidazol-2-amine,1-(phenylmethyl)-: it is used to produce other chemicals. For example, it is used to produce N-(1-Benzyl-1H-benzoimidazol-2-yl)-2-chloro-nicotinamide. This reaction needs reagent Triethylamine and solvent Benzene at ambient temperature. The reaction time is 16 hours. The yield is 48 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting 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: n2c1ccccc1n(c2N)Cc3ccccc3
(2) InChI: InChI=1/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)
(3) InChIKey: LXIDSOCBAAMGJX-UHFFFAOYAJ

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