Name: 4-(TERT-BUTYL)-1,2-DIAMINOBENZENE
SKU: 68176-57-8

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Basic Information

Molecular Structure:
CAS No.:	68176-57-8
Name:	4-(TERT-BUTYL)-1,2-DIAMINOBENZENE
Article Data:	3

Formula:	C₁₀H₁₆N₂
Molecular Weight:	164.25
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;
Density:	1.022 g/cm³
Melting Point:	98 °C
Boiling Point:	290.5 °C at 760 mmHg
Flash Point:	153 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	52.04000
LogP:	3.31090

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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