5-(Boc-amino)piperidin-2-one - CAS 1245646-80-3
Catalog: |
BB005906 |
Product Name: |
5-(Boc-amino)piperidin-2-one |
CAS: |
1245646-80-3 |
Synonyms: |
N-(6-oxo-3-piperidinyl)carbamic acid tert-butyl ester; tert-butyl N-(6-oxopiperidin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(6-oxopiperidin-3-yl)carbamate |
Description: | 5-(Boc-amino)piperidin-2-one (CAS# 1245646-80-3) is a useful research chemical. |
Molecular Weight: | 214.26 |
Molecular Formula: | C10H18N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(=O)NC1 |
InChI: | InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14) |
InChI Key: | KBNSUMIBERIFIT-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD13195280 |
LogP: | 1.50940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.13174244 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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