CAS No.79099-00-6,TERT-BUTYL 4-(2-AMINOPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79099-00-6
Name:	TERT-BUTYL 4-(2-AMINOPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE
Article Data:	18

Formula:	C₁₆H₂₅N₃O₂
Molecular Weight:	291.393
Synonyms:	tert-Butyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylate;1-Boc-4-[(2-aminophenyl)amino]-piperidine;
Density:	1.156 g/cm³
Boiling Point:	442.6 °C at 760 mmHg
Flash Point:	221.4 °C

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Specification

The 1-Piperidinecarboxylicacid, 4-[(2-aminophenyl)amino]-, 1,1-dimethylethyl ester, with the CAS registry number 79099-00-6, is also known as 1-Boc-4-[(2-aminophenyl)amino]-piperidine. This chemical's molecular formula is C₁₆H₂₅N₃O₂ and molecular weight is 291.39. What's more, its systematic name is tert-butyl 4-[(2-aminophenyl)amino]piperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-[(2-aminophenyl)amino]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 8.99; (6)ACD/BCF (pH 7.4): 12.6; (7)ACD/KOC (pH 5.5): 151.99; (8)ACD/KOC (pH 7.4): 213.1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.02 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 84.9 cm³; (15)Molar Volume: 251.9 cm³; (16)Polarizability: 33.65×10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 221.4 °C; (20)Enthalpy of Vaporization: 70 kJ/mol; (21)Boiling Point: 442.6 °C at 760 mmHg; (22)Vapour Pressure: 4.98E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(Nc1ccccc1N)CC2
(2)InChI: InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-12(9-11-19)18-14-7-5-4-6-13(14)17/h4-7,12,18H,8-11,17H2,1-3H3
(3)InChIKey: QAMKZPZMTWAMLU-UHFFFAOYSA-N