CAS No.43182-10-1,1-BENZYL-1H-BENZOIMIDAZOL-2-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	43182-10-1
Name:	1-BENZYL-1H-BENZOIMIDAZOL-2-YLAMINE
Article Data:	20

Formula:	C₁₄H₁₃N₃
Molecular Weight:	223.277
Synonyms:	Benzimidazole,2-amino-1-benzyl- (6CI);2-Amino-1-benzylbenzimidazole;2-Imino-1-benzyl-1,3-dihydrobenzimidazole;
EINECS:	256-130-5
Density:	1.2 g/cm³
Melting Point:	195-198 °C
Boiling Point:	451.915 °C at 760 mmHg
Flash Point:	227.11 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-22
Safety:	36/37/39-26
PSA:	43.84000
LogP:	3.24800

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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