3-(N-Tert-butoxycarbonyl-N-methylamino)aniline supplier

Name
3-(N-Tert-butoxycarbonyl-N-methylamino)aniline
EINECS
CAS No. 528882-16-8
Article Data11
CAS DataBase
Density 1.116 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂O₂
Boiling Point 347.824 °C at 760 mmHg
Molecular Weight 222.287
Flash Point 164.158 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tert-butyl (3-aminophenyl)methylcarbamate;
PSA 55.56000
LogP 3.22130

3-(N-Tert-butoxycarbonyl-N-methylamino)aniline Specification

The 3-(N-Tert-butoxycarbonyl-N-methylamino)aniline, with the CAS registry number 528882-16-8, is also known as Tert-butyl (3-aminophenyl)methylcarbamate. This chemical's molecular formula is C₁₂H₁₈N₂O₂ and molecular weight is 222.2835.

Physical properties about 3-(N-Tert-butoxycarbonyl-N-methylamino)aniline are: (1)ACD/LogP: 0.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 282; (8)ACD/KOC (pH 7.4): 304; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.56 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 65.075 cm³; (15)Molar Volume: 199.262 cm³; (16)Surface Tension: 44.308 dyne/cm; (17)Density: 1.116 g/cm³; (18)Flash Point: 164.158 °C; (19)Enthalpy of Vaporization: 59.214 kJ/mol; (20)Boiling Point: 347.824 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N(c1cccc(N)c1)C
(2) InChI: InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14(4)10-7-5-6-9(13)8-10/h5-8H,13H2,1-4H3
(3) InChIKey: QCTXBRCQBZFXDX-UHFFFAOYAR

Product Name

3-(N-Tert-butoxycarbonyl-N-methylamino)aniline

3-(N-Tert-butoxycarbonyl-N-methylamino)aniline Specification

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