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Benzenecarboximidamide,3-(aminomethyl)-

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Name

Benzenecarboximidamide,3-(aminomethyl)-

EINECS N/A
CAS No. 73711-52-1 Density 1.21 g/cm3
PSA 75.89000 LogP 3.53370
Solubility N/A Melting Point N/A
Formula C8H11N3 Boiling Point 298.3 °C at 760 mmHg
Molecular Weight 149.193 Flash Point 134.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 73711-52-1 (3-AMINOMETHYL BENZAMIDINE DIHYDROCHLORIDE) Hazard Symbols N/A
Synonyms

3-Aminomethylbenzamidine;3-(aminomethyl)benzenecarboximidamide;

 

Benzenecarboximidamide,3-(aminomethyl)- Specification

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

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