3-(Morpholin-4-yl)propanoic acid

HCID 410813CAS 4497-04-5

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Grundinformationen

Standard-SMILES: O=C(O)CCN1CCOCC1
InChIKey: YUYHRSGXZZVNMS-UHFFFAOYSA-N
Summenformel: C7H13NO3
Durchschnittliche Molmasse: 159,18 g/mol
Monoisotopische Masse: 159,08954328

Namen und Bezeichner

Bevorzugter Name: 3-(Morpholin-4-yl)propanoic acid
IUPAC: 3-morpholin-4-ylpropanoic acid
Englischer Name: 3-Morpholin-4-yl-propionic acid
Summenformel: C7H13NO3
Molmasse: 159.18

Namen und Synonyme

4497-04-53-(morpholin-4-yl)propanoic acidDTXSID10328500RefChem:275735DTXCID302796063-Morpholinopropanoic acid3-Morpholin-4-yl-propionic acid4-Morpholinepropionic acid3-morpholin-4-ylpropanoic acid4-Morpholinepropanoic acidMFCD020893113-(4-Morpholinyl)propionic acid

Weitere Namen anzeigen

AKOS BB-5602AKOS BBS-00002594BUTTPARK 145\04-88CHEMBRDG-BB 4010141RARECHEM AL BO 15123-Morpholin-4-yl-propionicaci

3-(4-morpholinyl)propanoic acid3-(4-Morpholinyl)propionic acid; 3-(Morpholino)propanoic acid; 3-Morpholinopropionic acid;N-(2-Carboxyethyl)morpholine3-Morpholinopropanoicacid3-morpholinopropionic acidTIMTEC-BB SBB010411Oprea1_024812Oprea1_797342SCHEMBL545027

Datenbank-Bezeichner

CAS: 4497-04-5
PubChem CID: 410813
DTXSID: DTXSID10328500
ChEMBL: CHEMBL1623240
EC Number: 803-921-3
Nikkaji: J92.374E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,9
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-76 °C
Siedepunkt: 174 · 174-176 °C(Press: 2 Torr)
Dichte: 1.159 · 1.159±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.74 · 3.74±0.10(Predicted)
InChI: InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChIKey: YUYHRSGXZZVNMS-UHFFFAOYSA-N
SMILES: N1(CCC(O)=O)CCOCC1
CAS Datenbank: 4497 · 4497-04-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.