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CAS No.: | 156478-71-6 |
---|---|
Name: | 4-Boc-1-piperazineacetic acid |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H20N2O4 |
Molecular Weight: | 244.291 |
Synonyms: | 2-[1-(tert-Butoxycarbonyl)piperazin-4-yl]aceticacid;2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]acetic acid;4-Carboxymethylpiperazine-1-carboxylic Acid tert-butyl Ester;[4-(tert-Butoxycarbonyl)-1-piperazinyl]acetic acid;[4-[[(2-methylpropan-2-yl)oxy]carbonyl]piperazin-1-yl]acetic acid;tert-Butyl4-(carboxymethyl)piperazine-1-carboxylate; |
Density: | 1.175 g/cm3 |
Boiling Point: | 365.505 °C at 760 mmHg |
Flash Point: | 174.851 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 70.08000 |
LogP: | 0.49950 |
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Molecule structure of 4-Boc-1-piperazineacetic acid (CAS NO.156478-71-6):
IUPAC Name: 2-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
Molecular Weight: 244.2875 [g/mol]
Molecular Formula: C11H20N2O4
Index of Refraction: 1.501
Molar Refractivity: 61.286 cm3
Molar Volume: 207.958 cm3
Polarizability: 24.296×10-24 cm3
Surface Tension: 44.686 dyne/cm
Density: 1.175 g/cm3
Flash Point: 174.851 °C
Enthalpy of Vaporization: 67.197 kJ/mol
Boiling Point: 365.505 °C at 760 mmHg
XLogP3-AA: -1.8
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Exact Mass: 244.142307
MonoIsotopic Mass: 244.142307
Topological Polar Surface Area: 70.1
Heavy Atom Count: 17
Complexity 290
Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)O
InChI: InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKey: WZBHMXRBXXCEDD-UHFFFAOYSA-N
Product Categories of 4-Boc-1-piperazineacetic acid (CAS NO.156478-71-6): piperazines
Hazard Codes: Xi
HazardClass: IRRITANT
4-Boc-1-piperazineacetic acid (CAS NO.156478-71-6) is also called 2-(1-Boc-piperazin-4-yl)-acetic acid ; 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid ; 2-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid ; [4-(tert-Butoxycarbonyl)-1-piperazinyl]acetic acid; 4-Carboxymethylpiperazine-1-carboxylic acid tert-butyl ester.