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3,4-Dimethylbenzamidine

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Name

3,4-Dimethylbenzamidine

EINECS N/A
CAS No. 26130-47-2 Density 1.05 g/cm3
PSA 49.87000 LogP 2.38750
Solubility N/A Melting Point N/A
Formula C9H12N2 Boiling Point 257.5 °C at 760 mmHg
Molecular Weight 148.208 Flash Point 109.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26130-47-2 (3,4-DIMETHYL-BENZAMIDINE) Hazard Symbols N/A
Synonyms

Benzamidine,3,4-dimethyl- (8CI);3,4-Dimethylbenzamidine;

 

3,4-Dimethylbenzamidine Specification

The 3,4-Dimethylbenzamidine, with the cas registry number 26130-47-2, is also known as 3,4-Dimethylbenzenecarboximidamide and Benzamidine,3,4-dimethyl- (8CI). This chemical's molecular formula is C9H12N2 and formula weight is 148.2. What's more, its systematic name is called 3,4-Dimethylbenzenecarboximidamide.

Physical properties about this chemical are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.7; (8)ACD/KOC (pH 7.4): 1.71; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 44.92 cm3; (15)Molar Volume: 140.6 cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 1.05 g/cm3; (18)Flash Point: 109.6 °C; (19)Enthalpy of Vaporization: 49.51 kJ/mol; (20)Boiling Point: 257.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0145 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [N@H]=C(c1cc(c(cc1)C)C)N
(2)InChI: InChI=1/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11)
(3)InChIKey: QQSRGYGYLVLMFU-UHFFFAOYAG

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