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| CAS No.: | 93-48-1 |
|---|---|
| Name: | 2,5-Dimethylbenzylamine |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Benzylamine,2,5-dimethyl- (8CI);N-[(2,5-Dimethylphenyl)methyl]amine;1-(2,5-dimethylphenyl)methanamine;Benzenemethanamine, 2,5-dimethyl-; |
| EINECS: | 202-250-8 |
| Density: | 0.952 g/cm3 |
| Boiling Point: | 222.9 °C at 760 mmHg |
| Flash Point: | 92.3 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26 |
| PSA: | 26.02000 |
| LogP: | 2.46240 |
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Specification
The 2,5-Dimethylbenzylamine, with the CAS registry number 93-48-1 and EINECS registry number 202-250-8, has the systematic name of 1-(2,5-dimethylphenyl)methanamine. And the molecular formula of this chemical is C9H13N. It is a kind of clear colorless liquid, and belongs to the product category of Amine.
The physical properties of 1,2,3,4-Tetrahydroisoquinoline carboxylic acid are as following: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -0.06; (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): 2.51; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.35 cm3; (15)Molar Volume: 141.9 cm3; (16)Polarizability: 17.58×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.952 g/cm3; (19)Flash Point: 92.3 °C; (20)Enthalpy of Vaporization: 45.94 kJ/mol; (21)Boiling Point: 222.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0989 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1cc(ccc1C)C
(2)InChI: InChI=1/C9H13N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6,10H2,1-2H3
(3)InChIKey: LUJNPFWZXIGIPS-UHFFFAOYAV