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CAS No.: | 73711-52-1 |
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Name: | 3-AMINOMETHYL BENZAMIDINE DIHYDROCHLORIDE |
Molecular Structure: | |
Formula: | C8H11N3 |
Molecular Weight: | 149.193 |
Synonyms: | 3-Aminomethylbenzamidine;3-(aminomethyl)benzenecarboximidamide; |
Density: | 1.21 g/cm3 |
Boiling Point: | 298.3 °C at 760 mmHg |
Flash Point: | 134.2 °C |
PSA: | 75.89000 |
LogP: | 3.53370 |
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The Benzenecarboximidamide,3-(aminomethyl)-, with the CAS registry number 73711-52-1, has the systematic name of 3-(aminomethyl)benzenecarboximidamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H11N3.
The characteristics of Benzenecarboximidamide,3-(aminomethyl)- are as followings: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.55; (4)ACD/LogD (pH 7.4): -3.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.84 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 42.6 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 16.89×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 53.82 kJ/mol; (21)Boiling Point: 298.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [N@H]=C(c1cc(ccc1)CN)N
(2)InChI: InChI=1/C8H11N3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
(3)InChIKey: IXEKVJHHZCSSAI-UHFFFAOYAT