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193902-81-7

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Basic Information
CAS No.: 193902-81-7
Name: 4-(4-Boc-piperazin-1-yl)-3-chloroaniline
Article Data: 7
Molecular Structure:
Molecular Structure of 193902-81-7 (4-(4-Boc-piperazin-1-yl)-3-chloroaniline)
Formula: C15H22ClN3O2
Molecular Weight: 311.812
Synonyms: 4-(4-Amino-2-chlorophenyl)piperazine-1-carboxylicacid tert-butyl ester;1-Piperazinecarboxylicacid, 4-(4-amino-2-chlorophenyl)-, 1,1-dimethylethyl ester;tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate;
Density: 1.226 g/cm3
Boiling Point: 467.3 °C at 760 mmHg
Flash Point: 236.4 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 58.80000
LogP: 3.56340
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Specification

The 1-Piperazinecarboxylicacid, 4-(4-amino-2-chlorophenyl)-, 1,1-dimethylethyl ester with CAS registry number of 193902-81-7 is also known as 4-(4-Boc-piperazin-1-yl)-3-chloroaniline. The systematic name is tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate. In addition, the formula is C15H22ClN3O2 and the molecular weight is 311.81.

Physical properties about 1-Piperazinecarboxylicacid, 4-(4-amino-2-chlorophenyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 19.66; (6)ACD/KOC (pH 5.5): 11.76; (7)ACD/KOC (pH 7.4): 264.73; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 83.96 cm3; (13)Molar Volume: 254.1 cm3; (14)Surface Tension: 49.5 dyne/cm; (15)Density: 1.226 g/cm3; (16)Flash Point: 236.4 °C; (17)Enthalpy of Vaporization: 72.93 kJ/mol; (18)Boiling Point: 467.3 °C at 760 mmHg; (19)Vapour Pressure: 6.57E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(N)cc2Cl
2. InChI: InChI=1/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3
3. InChIKey: AHXKEIKOXAWOMF-UHFFFAOYAZ