tert-Butyl piperazin-1-ylacetate dihydrochloride supplier

Name
tert-Butyl piperazin-1-ylacetate dihydrochloride
EINECS
CAS No. 827614-56-2
Density 0.998g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀N₂O₂^.2(HCl)
Boiling Point 275.4 °C at 760 mmHg
Molecular Weight 273.20
Flash Point 120.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazineaceticacid, 1,1-dimethylethyl ester, dihydrochloride (9CI);Piperazine-1-carboxylicacid tert-butyl ester dihydrochloride;
PSA 41.57000
LogP 2.10400

tert-Butyl piperazin-1-ylacetate dihydrochloride Specification

This chemical is called tert-Butyl piperazin-1-ylacetate dihydrochloride, and it can also be named as 1-Piperazineacetic acid, 1,1-dimethylethyl ester, hydrochloride (1:2). With the molecular formula of C₁₀H₂₀N₂O₂^.2(HCl), its molecular weight is 273.20. The CAS registry number of this chemical is 827614-56-2.

Other characteristics of the tert-Butyl piperazin-1-ylacetate dihydrochloride can be summarised as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.27; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å²; (13)Flash Point: 120.4 °C; (14)Enthalpy of Vaporization: 51.39 kJ/mol; (15)Boiling Point: 275.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0051 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(OC(C)(C)C)CN1CCNCC1
(2)InChI: InChI=1/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
(3)InChIKey: JNPMEYOZRVPYPP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
(5)Std. InChIKey: JNPMEYOZRVPYPP-UHFFFAOYSA-N

Product Name

tert-Butyl piperazin-1-ylacetate dihydrochloride

tert-Butyl piperazin-1-ylacetate dihydrochloride Specification

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