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Benzenemethanamine, 4-(1,2,3-thiadiazol-4-yl)-

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Name

Benzenemethanamine, 4-(1,2,3-thiadiazol-4-yl)-

EINECS N/A
CAS No. 175205-49-9 Density 1.269 g/cm3
PSA 80.04000 LogP 3.16610
Solubility N/A Melting Point 94 °C
Formula C9H9N3S Boiling Point 356.4 °C at 760 mmHg
Molecular Weight 191.257 Flash Point 169.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175205-49-9 (4-(1,2,3-THIADIAZOL-4-YL)BENZYLAMINE HYDROCHLORIDE) Hazard Symbols CorrosiveC
Synonyms

4-(4-Aminomethylphenyl)-1,2,3-thiadiazole;4-([1,2,3]Thiadiazol-4-yl)benzylamine;

 

Benzenemethanamine, 4-(1,2,3-thiadiazol-4-yl)- Specification

This chemical is called Benzenemethanamine, 4-(1,2,3-thiadiazol-4-yl)-, and its systematic name is 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine. With the molecular formula of C9H9N3S, its molecular weight is 227.71. The CAS registry number of this chemical is 175205-49-9.

Other characteristics of the Benzenemethanamine, 4-(1,2,3-thiadiazol-4-yl)- can be summarised as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): 0.01; (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): 5.53; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 53.86 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 21.35×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 60.17 kJ/mol; (21)Boiling Point: 356.4 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-05 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: n1nscc1c2ccc(cc2)CN
2.InChI: InChI=1/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2
3.InChIKey: FWSCINFUBQNPJM-UHFFFAOYAW

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