3,3-Dimethylpiperazine-1-carboxylic acid tert-butyl ester supplier

Name
1-Boc-3,3-dimethylpiperazine
EINECS
CAS No. 259808-67-8
Density 0.978 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂N₂O₂
Boiling Point 275.064 °C at 760 mmHg
Molecular Weight 214.308
Flash Point 120.155 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-Dimethyl-piperazine-1-carboxylicacid tert-butyl ester;
PSA 41.57000
LogP 1.87200

3,3-Dimethylpiperazine-1-carboxylic acid tert-butyl ester 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

Product Name

1-Boc-3,3-dimethylpiperazine

3,3-Dimethylpiperazine-1-carboxylic acid tert-butyl ester Specification

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