N-(tert-Butoxycarbonyl)-3-piperidin-1-ylalanine Hydrochloride - CAS 1803562-92-6
Catalog: |
BB070888 |
Product Name: |
N-(tert-Butoxycarbonyl)-3-piperidin-1-ylalanine Hydrochloride |
CAS: |
1803562-92-6 |
Synonyms: |
2-{[(tert-butoxy)carbonyl]amino}-3-(piperidin-1-yl)propanoic acid hydrochloride; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid; hydrochloride |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acidhydrochloride |
Molecular Weight: | 272.34 + 36.46 |
Molecular Formula: | C13H24N2O4·HCl |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O.Cl |
InChI: | InChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)1H |
InChI Key: | WIAQYQLFSJINJF-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.150285 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.150285 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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