(S)-3-Methylpiperazin-2-one - CAS 78551-38-9
Catalog: |
BB036186 |
Product Name: |
(S)-3-Methylpiperazin-2-one |
CAS: |
78551-38-9 |
Synonyms: |
(3S)-3-methyl-2-piperazinone; (3S)-3-methylpiperazin-2-one |
IUPAC Name: | (3S)-3-methylpiperazin-2-one |
Description: | (S)-3-Methylpiperazin-2-one (CAS# 78551-38-9) is a useful research chemical. |
Molecular Weight: | 114.15 |
Molecular Formula: | C5H10N2O |
Canonical SMILES: | CC1C(=O)NCCN1 |
InChI: | InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1 |
InChI Key: | BSPUWRUTIOUGMZ-BYPYZUCNSA-N |
Boiling Point: | 289.6 °C at 760 mmHg |
Density: | 0.992 g/cm3 |
MDL: | MFCD07373459 |
LogP: | -0.24810 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-108129404-B | Synthesis method of chiral piperazinone derivative | 20180130 |
CA-2927510-A1 | Selectively substituted quinoline compounds | 20131014 |
EP-3057964-A1 | Selectively substituted quinoline compounds | 20131014 |
EP-3057964-B1 | Selectively substituted quinoline compounds | 20131014 |
EP-3626717-A1 | Selectively substituted quinoline compounds | 20131014 |
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: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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