2-{4-[(tert-Butoxy)carbonyl]piperazin-1-yl}-2-methylpropanoic Acid - CAS 1240619-73-1
Catalog: |
BB071179 |
Product Name: |
2-{4-[(tert-Butoxy)carbonyl]piperazin-1-yl}-2-methylpropanoic Acid |
CAS: |
1240619-73-1 |
Synonyms: |
2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-methylpropanoic acid; 2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-methylpropanoic acid; 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid; 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-2-methylpropanoic acid |
IUPAC Name: | 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid |
Molecular Weight: | 272.34 |
Molecular Formula: | C13H24N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C(C)(C)C(=O)O |
InChI: | InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)14-6-8-15(9-7-14)13(4,5)10(16)17/h6-9H2,1-5H3,(H,16,17) |
InChI Key: | SXMRPRGMUNAZJA-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.17360725 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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