(S)-3-Aminopiperidine-2-one - CAS 34294-79-6
Catalog: |
BB022046 |
Product Name: |
(S)-3-Aminopiperidine-2-one |
CAS: |
34294-79-6 |
Synonyms: |
(3S)-3-amino-2-piperidinone; (3S)-3-aminopiperidin-2-one |
IUPAC Name: | (3S)-3-aminopiperidin-2-one |
Description: | (S)-3-Aminopiperidine-2-one (CAS# 34294-79-6) is used in preparation of Thiazoleurea derivatives for use as antitumor agents. |
Molecular Weight: | 114.15 |
Molecular Formula: | C5H10N2O |
Canonical SMILES: | C1CC(C(=O)NC1)N |
InChI: | InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1 |
InChI Key: | YCCMTCQQDULIFE-BYPYZUCNSA-N |
Boiling Point: | 307.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.071 g/cm3 |
MDL: | MFCD09258624 |
LogP: | 0.25280 |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020030924-A1 | Thiazoleureas as anticancer agents | 20180810 |
AU-2018266357-A1 | Processes of making L-ornithine phenylacetate | 20170511 |
CA-3063134-A1 | Processes of making l-ornithine phenylacetate | 20170511 |
CN-110740988-A | Method for preparing L-ornithine phenylacetate | 20170511 |
KR-20200024145-A | Method for preparing L-ornithine phenyl acetate | 20170511 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.079312947 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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