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CAS No.: | 20680-59-5 |
---|---|
Name: | 3-Methylbenzenecarboximidamide hydrochloride |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H10N2.HCl |
Molecular Weight: | 170.642 |
Synonyms: | Benzenecarboximidamide,3-methyl-, monohydrochloride (9CI);m-Toluamidine, monohydrochloride (8CI);3-Methylbenzamidinehydrochloride;3-Methylbenzenecarboximidamide hydrochloride;m-Toluamidinehydrochloride; |
EINECS: | 604-604-1 |
Melting Point: | 187-190 °C |
Boiling Point: | 238 °C at 760 mmHg |
Flash Point: | 97.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-37/39 |
PSA: | 49.87000 |
LogP: | 2.88110 |
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The CAS register number of 3-Methylbenzenecarboximidamide hydrochloride is 20680-59-5. It also can be called as Benzenecarboximidamide,3-methyl-, hydrochloride (1:1) and the systematic name about this chemical is amino(3-methylphenyl)methaniminium chloride. The molecular formula about this chemical is C8H10N2.HCl and molecular weight is 170.64.
Physical properties about 3-Methylbenzenecarboximidamide hydrochloride are: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): -0.89; (3)ACD/LogD (pH 7.4): -0.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 6.25 Å2; (12)Flash Point: 97.7 °C; (13)Enthalpy of Vaporization: 47.48 kJ/mol; (14)Boiling Point: 238 °C at 760 mmHg; (15)Vapour Pressure: 0.0436 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, gloves and eye/face protection. 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: [Cl-].N/C(c1cc(ccc1)C)=[NH2+]
(2)InChI: InChI=1/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
(3)InChIKey: QEAXZIMXYPAZAX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
(5)Std. InChIKey: QEAXZIMXYPAZAX-UHFFFAOYSA-N