CAS No.13021-14-2,2 4 6-TRIMETHYL-N-METHYLANILINE 97 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13021-14-2
Name:	2 4 6-TRIMETHYL-N-METHYLANILINE 97
Article Data:	12

Formula:	C₁₀H₁₅N
Molecular Weight:	149.236
Synonyms:	Aniline,N,2,4,6-tetramethyl- (6CI,7CI,8CI);N,2,4,6-Tetramethylbenzenamine;N-Methyl-2,4,6-trimethylaniline;N-Methylmesitylamine;
Density:	0.946g/cm³
Boiling Point:	236.8 °C at 760 mmHg
Flash Point:	96 °C
Hazard Symbols:	Xi; N
Risk Codes:	36/38-50/53
Safety:	26-60-61
PSA:	12.03000
LogP:	2.72650

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Specification

The Benzenamine,N,2,4,6-tetramethyl-, with CAS registry number 13021-14-2, belongs to the following product categories: (1)Amines; (2)C9 to C10; (3)Nitrogen Compounds. It has the systematic name of N,2,4,6-tetramethylaniline. Besides this, it is also called 2 4 6-Trimethyl-n-methylaniline 97. And the chemical formula of this chemical is C₁₀H₁₅N.

Physical properties of Benzenamine,N,2,4,6-tetramethyl-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 76.74; (6)ACD/BCF (pH 7.4): 106.96; (7)ACD/KOC (pH 5.5): 706.81; (8)ACD/KOC (pH 7.4): 985.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 50.33 cm³; (15)Molar Volume: 157.7 cm³; (16)Polarizability: 19.95×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 96 °C; (20)Enthalpy of Vaporization: 47.36 kJ/mol; (21)Boiling Point: 236.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0465 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N,2,4,6-tetramethyl- irritates to eyes, respiratory system and skin. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1c(cc(cc1C)C)C)C
(2)InChI: InChI=1/C10H15N/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6,11H,1-4H3
(3)InChIKey: HKABSXHXKCTVGW-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H15N/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6,11H,1-4H3
(5)Std. InChIKey: HKABSXHXKCTVGW-UHFFFAOYSA-N