Home >> Chemicals Listing >> hot product list by 1  

1-Piperazinecarboxylicacid, 3,3-dimethyl-, 1,1-dimethylethyl ester (259808-67-8)

Identification
Name:1-Piperazinecarboxylicacid, 3,3-dimethyl-, 1,1-dimethylethyl ester
Synonyms:3,3-Dimethyl-piperazine-1-carboxylicacid tert-butyl ester
CAS:259808-67-8
Molecular Formula: C11H22 N2 O2
Molecular Weight: 0
InChI: InChI=1/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3
Molecular Structure: (C11H22N2O2) 3,3-Dimethyl-piperazine-1-carboxylicacid tert-butyl ester
Properties
Density:0.977g/cm3
Refractive index:1.455
Specification:

The CAS register number of 3,3-Dimethylpiperazine-1-carboxylic acid tert-butyl ester is 259808-67-8. It also can be called as 1-Boc-3,3-dimethylpiperazine and the IUPAC name about this chemical is tert-butyl 3,3-dimethylpiperazine-1-carboxylate. The molecular formula about this chemical is C11H22N2O2 and the molecular weight is 214.30. It belongs to the Pharmacetical.

Physical properties about 3,3-Dimethylpiperazine-1-carboxylic acid tert-butyl ester are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 5; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 88; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.57Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 59.498 cm3; (13)Molar Volume: 219.145 cm3; (14)Polarizability: 23.587x10-24cm3; (15)Surface Tension: 30.191 dyne/cm; (16)Enthalpy of Vaporization: 51.35 kJ/mol; (17)Boiling Point: 275.064 °C at 760 mmHg; (18)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(C)(C)NCC1
(2)InChI: InChI=1/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3
(3)InChIKey: LBAIYWWWORXVEQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3
(5)Std. InChIKey: LBAIYWWWORXVEQ-UHFFFAOYSA-N

Safety Data
 

Other Product