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29096-75-1

Basic Information
CAS No.: 29096-75-1
Name: 2-Amino-5,6-dimethylbenzimidazole
Article Data: 13
Molecular Structure:
Molecular Structure of 29096-75-1 (2-Amino-5,6-dimethylbenzimidazole)
Formula: C9H11N3
Molecular Weight: 161.206
Synonyms: Benzimidazole,2-amino-5,6-dimethyl- (7CI,8CI);2-Amino-5,6-dimethylbenzimidazole;5,6-Dimethyl-1H-benzimidazol-2-amine;5,6-Dimethyl-2-aminobenzimidazole;NSC208659;
EINECS: 249-430-2
Density: 1.24 g/cm3
Melting Point: 220-223 °C (dec.)(lit.)
Boiling Point: 389.3 °C at 760 mmHg
Flash Point: 217.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 54.70000
LogP: 2.34310
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Specification

The 2-Amino-5,6-dimethylbenzimidazole is an organic compound with the formula C9H11N3. The systematic name of this chemical is 5,6-dimethyl-1H-benzimidazol-2-amine. With the CAS registry number 29096-75-1, it is also named as 1H-benzimidazol-2-amine, 5,6-dimethyl-. The product's categories are Benzimidazole; Pharmacetical; A; Stains and Dyes; Stains & Dyes, A to. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2-Amino-5,6-dimethylbenzimidazole are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.33; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 23.12; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)Polar Surface Area: 21.06 Å2; (11)Index of Refraction: 1.705; (12)Molar Refractivity: 50.5 cm3; (13)Molar Volume: 129.9 cm3; (14)Polarizability: 20.02×10-24cm3; (15)Surface Tension: 62.9 dyne/cm; (16)Density: 1.24 g/cm3; (17)Flash Point: 217.7 °C; (18)Enthalpy of Vaporization: 63.87 kJ/mol; (19)Boiling Point: 389.3 °C at 760 mmHg; (20)Vapour Pressure: 2.87E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1cc(c(cc1nc2N)C)C
(2)InChI: InChI=1/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
(3)InChIKey: YPFQISHSXCFZMU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
(5)Std. InChIKey: YPFQISHSXCFZMU-UHFFFAOYSA-N