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194242-23-4

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Basic Information
CAS No.: 194242-23-4
Name: 2-TERT-BUTYL-1H-INDOL-5-AMINE
Molecular Structure:
Molecular Structure of 194242-23-4 (2-TERT-BUTYL-1H-INDOL-5-AMINE)
Formula: C12H16N2
Molecular Weight: 188.27
Synonyms: Pyrazineacetaldehyde,a-(hydroxymethylene)- (9CI);
Density: 1.102 g/cm3
Melting Point: 151-154(dec.)
Boiling Point: 365.7 °C at 760 mmHg
Flash Point: 202.6 °C
Hazard Symbols: Xi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 41.81000
LogP: 3.62880
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  • 2-tert-Butyl-1H-indol-5-amine CAS No.194242-23-4

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Specification

The 2-Pyrazineacetaldehyde,α-(hydroxymethylene)-, with the CAS registry number 194242-23-4, has the systematic name of 2-tert-butyl-1H-indol-5-amine. And the molecular formula of this chemical is C12H16N2. It is a kind of irritant chemical, and should be stored in the dry and cool environment.

The physical properties of 2-Pyrazineacetaldehyde,a-(hydroxymethylene)- are as following: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 27.3; (6)ACD/BCF (pH 7.4): 38.3; (7)ACD/KOC (pH 5.5): 336.72; (8)ACD/KOC (pH 7.4): 472.32; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 61.15 cm3; (15)Molar Volume: 170.8 cm3; (16)Polarizability: 24.24×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 202.6 °C; (20)Enthalpy of Vaporization: 61.2 kJ/mol; (21)Boiling Point: 365.7 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc2c1cc(n2)C(C)(C)C)N
(2)InChI: InChI=1/C12H16N2/c1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,13H2,1-3H3
(3)InChIKey: PKUZLTGNTQQVTH-UHFFFAOYAK