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CAS No.: | 13021-15-3 |
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Name: | N,N,2,4,6-PENTAMETHYLANILINE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C11H17N |
Molecular Weight: | 163.263 |
Synonyms: | Aniline,N,N,2,4,6-pentamethyl- (6CI,7CI,8CI);2,4,6,N,N-Pentamethylaniline;2-(Dimethylamino)mesitylene;N,N,2,4,6-Pentamethylbenzenamine;N,N-Dimethylmesidine;NSC 243164; |
Density: | 0.926 g/cm3 |
Melting Point: | 46.25°C (estimate) |
Boiling Point: | 214 °C at 760 mmHg |
Flash Point: | 78.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37 |
PSA: | 3.24000 |
LogP: | 2.67780 |
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The Benzenamine,N,N,2,4,6-pentamethyl-, with CAS registry number 13021-15-3, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Anilines, Amides & Amines. It has the systematic name of N,N,2,4,6-pentamethylaniline. And the chemical formula of this chemical is C11H17N.
Physical properties of Benzenamine,N,N,2,4,6-pentamethyl-: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 24.09; (6)ACD/BCF (pH 7.4): 322.81; (7)ACD/KOC (pH 5.5): 154.14; (8)ACD/KOC (pH 7.4): 2065.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 55.04 cm3; (15)Molar Volume: 176.2 cm3; (16)Polarizability: 21.82×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.926 g/cm3; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 45.03 kJ/mol; (21)Boiling Point: 214 °C at 760 mmHg; (22)Vapour Pressure: 0.159 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N,N,2,4,6-pentamethyl- irritates to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: N(c1c(cc(cc1C)C)C)(C)C
(2)InChI: InChI=1/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3
(3)InChIKey: JZBZLRKFJWQZHU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3
(5)Std. InChIKey: JZBZLRKFJWQZHU-UHFFFAOYSA-N