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4-(tert-Butyl)benzene-1,2-diamine

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Name

4-(tert-Butyl)benzene-1,2-diamine

EINECS N/A
CAS No. 68176-57-8 Density 1.022 g/cm3
PSA 52.04000 LogP 3.31090
Solubility N/A Melting Point 98 °C
Formula C10H16N2 Boiling Point 290.5 °C at 760 mmHg
Molecular Weight 164.25 Flash Point 153 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 68176-57-8 (4-(TERT-BUTYL)-1,2-DIAMINOBENZENE) Hazard Symbols Xn
Synonyms

4-tert-Butyl-1,2-diaminobenzene;4-tert-Butyl-1,2-phenylenediamine;4-tert-Butylbenzene-1,2-diamine;NSC 313170;4-(tert-Butyl)-1,2-diaminobenzene;

Article Data 3

4-(tert-Butyl)benzene-1,2-diamine Specification

The 1,2-Benzenediamine,4-(1,1-dimethylethyl)-, with the CAS registry number 68176-57-8, is also known as 4-tert-Butyl-1,2-diaminobenzene. This chemical's molecular formula is C10H16N2 and formula weight is 164.25. What's more, its IUPAC name is 4-tert-butylbenzene-1,2-diamine.

Physical properties of 1,2-Benzenediamine,4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/BCF (pH 5.5): 10.73; (5)ACD/BCF (pH 7.4): 12.36; (6)ACD/KOC (pH 5.5): 182.7; (7)ACD/KOC (pH 7.4): 210.46; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 53.11 cm3; (14)Molar Volume: 160.6 cm3; (15)Surface Tension: 41.1 dyne/cm ; (16)Density: 1.022 g/cm3; (17)Flash Point: 153 °C; (18)Enthalpy of Vaporization: 52.99 kJ/mol; (19)Boiling Point: 290.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00207 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(cc1N)C(C)(C)C
(2)InChI: InChI=1S/C10H16N2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,11-12H2,1-3H3
(3)InChIKey: WLOSFXSXVXTKBU-UHFFFAOYSA-N

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