(3S)-3-aminopiperidin-2-one

HCID 7200369

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Grundinformationen

CAS: 34294-79-6
Standard-SMILES: N[C@H]1CCCNC1=O
InChIKey: YCCMTCQQDULIFE-BYPYZUCNSA-N
Summenformel: C5H10N2O
Durchschnittliche Molmasse: 114,15 g/mol
Monoisotopische Masse: 114,07931295

Namen und Bezeichner

Bevorzugter Name: (3S)-3-aminopiperidin-2-one
IUPAC: (3S)-3-aminopiperidin-2-one
Englischer Name: (S)-3-AMINOPIPERIDINE-2-ONE
Summenformel: C5H10N2O
Molmasse: 114.15

Namen und Synonyme

(3S)-3-aminopiperidin-2-oneRefChem:401371630-959-6(s)-3-aminopiperidin-2-one34294-79-6(S)-3-Aminopiperidine-2-oneMFCD092586242-PIPERIDINONE, 3-AMINO-, (3S)-(S)-(-)-3-Amino-2-piperidone(3s)-3-amino-2-piperidinoneL-Orinithine lactam(s)-3-amino-2-piperidone

Weitere Namen anzeigen

Ornithine lactam , L-(S)-3-AMino-2-piperidinone(3S)-Aminopiperidine-2-one(3R)-3-amino-2-piperidinone(S)-3-AMinopiperidin-2-one HCl

MSS5HMD944SCHEMBL1095061(3S)-3-Azanylpiperidin-2-oneCHEMBL4537597YCCMTCQQDULIFE-BYPYZUCNSA-N3-Amino-2-piperidinone, (3S)-2-piperidinone, 3-amino, (3s)-AKOS006239255

Datenbank-Bezeichner

CAS: 34294-79-6
PubChem CID: 7200369
ChEMBL: CHEMBL4537597
UNII: MSS5HMD944
EC Number: 630-959-6
Nikkaji: J2.495.765I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 87 °C · 87°C(lit.)
Siedepunkt: 307.5 · 307.5±35.0 °C(Predicted)
Dichte: 1.071 · 1.071±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
pka: 16 · 16.00±0.40(Predicted)
Aggregatzustand: Solid
Farbe: Light Yellow to Yellow
InChI: 1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChIKey: YCCMTCQQDULIFE-BYPYZUCNSA-N
SMILES: N[C@H]1CCCNC1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.