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| CAS No.: | 54799-03-0 |
|---|---|
| Name: | 4-(AMINOMETHYL)ANILINE DIHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C7H10N2.2ClH |
| Molecular Weight: | 195.092 |
| Synonyms: | Benzenemethanamine,4-amino-, dihydrochloride (9CI);Toluene-a,4-diamine, dihydrochloride (7CI);p-Aminobenzylaminedihydrochloride; |
| EINECS: | 611-198-9 |
| Melting Point: | 360 °C |
| Boiling Point: | 327 °C at 760 mmHg |
| Flash Point: | 151.6 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.04000 |
| LogP: | 3.61300 |
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Specification
The Benzenemethanamine,4-amino-, hydrochloride (1:2) with CAS registry number of 54799-03-0 is also known as Toluene-a,4-diamine, dihydrochloride (7CI). The systematic name is 4-(Aminomethyl)aniline dihydrochloride. In addition, the formula is C7H10N2.2ClH and the molecular weight is 195.09.
Physical properties about Benzenemethanamine,4-amino-, hydrochloride (1:2) are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 2; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 52.04Å2; (9)Flash Point: 151.6 °C; (10)Enthalpy of Vaporization: 58.06 kJ/mol; (11)Boiling Point: 327 °C at 760 mmHg; (12)Vapour Pressure: 0.000151 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: Cl.Cl.NCc1ccc(N)cc1
2. InChI: InChI=1/C7H10N2.2ClH/c8-5-6-1-3-7(9)4-2-6;;/h1-4H,5,8-9H2;2*1H
3. InChIKey: GMYWFOGAJAQFHN-UHFFFAOYAE
4. Std. InChI: InChI=1S/C7H10N2.2ClH/c8-5-6-1-3-7(9)4-2-6;;/h1-4H,5,8-9H2;2*1H
5. Std. InChIKey: GMYWFOGAJAQFHN-UHFFFAOYSA-N