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Name |
Benzenemethanamine,2-methyl-, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 14865-38-4 | Density | N/A |
PSA | 26.02000 | LogP | 2.95600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12ClN | Boiling Point | 203.6 °C at 760 mmHg |
Molecular Weight | 157.643 | Flash Point | 83.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenemethanamine,2-methyl-, hydrochloride (9CI);Benzylamine, o-methyl-, hydrochloride (8CI);2-Methylbenzylamine hydrochloride;2-methyl-benzenemethanaminhydrochloride;o-methyl-benzylaminhydrochloride; |
Article Data | 20 |
The CAS register number of Benzenemethanamine,2-methyl-, hydrochloride (1:1) is 14865-38-4. It also can be called as 2-methyl-benzenemethanaminhydrochloride and the IUPAC name about this chemical is (2-methylphenyl)methylazanium chloride. The molecular formula about this chemical is C8H12ClN and the molecular weight is 157.64058.
Physical properties about Benzenemethanamine,2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): -1.49; (3)ACD/LogD (pH 7.4): -0.47; (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): 1.58; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 83.9 °C; (12)Enthalpy of Vaporization: 43.99 kJ/mol; (13)Boiling Point: 203.6 °C at 760 mmHg; (14)Vapour Pressure: 0.275 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1cccc(c1C[NH3+])C
(2)InChI: InChI=1/C8H11N.ClH/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6,9H2,1H3;1H
(3)InChIKey: AFUROYYNHZQQOL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H11N.ClH/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6,9H2,1H3;1H
(5)Std. InChIKey: AFUROYYNHZQQOL-UHFFFAOYSA-N
The toxicity data are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, |