Isoserine

HCID 11267CAS 565-71-9

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Grundinformationen

Standard-SMILES: NCC(O)C(=O)O
InChIKey: BMYNFMYTOJXKLE-UHFFFAOYSA-N
Summenformel: C3H7NO3
Durchschnittliche Molmasse: 105,09 g/mol
Monoisotopische Masse: 105,04259309

Namen und Bezeichner

Bevorzugter Name: Isoserine
IUPAC: 3-amino-2-hydroxypropanoic acid
Englischer Name: DL-ISOSERINE
Summenformel: C3H7NO3
Molmasse: 105.09

Namen und Synonyme

565-71-9ISOSERINE2-Hydroxy-3-aminopropanoic acidRefChem:792331dl-Isoserine3-amino-2-hydroxypropanoic acid632-12-2Propanoic acid, 3-amino-2-hydroxy-H-DL-ISOSER-OH3-Amino-2-hydroxypropionic acidMFCD00008138U7LTG62FEW

Weitere Namen anzeigen

H-DL-ISE-OH3-AMINOLACTIC ACID2-HYDROXY-B-ALANINEDL-3-Aminolactic acidDL-2-Hydroxy-β-alanine2-HYDROXY-BETA-ALANINEDL-2-HYDROXY-3-AMINOPROPIONIC ACID(R,S)-3-AMINO-2-HYDROXYPROPIONIC ACID

2-Hydroxy-.beta.-alanine(DL)-IsoserineCHEMBL4798809H-DL-beta-Amino-alpha-hydroxypropionic acid(RS)-isoserineIsoserine, DL-(2R)-3-Amino-2-hydroxy-propanoic acidDL-3-Amino-2-hydroxypropionic Acid

Datenbank-Bezeichner

CAS: 565-71-9、632-12-2
PubChem CID: 11267
DTXSID: DTXSID70870737
ChEMBL: CHEMBL4798809
UNII: U7LTG62FEW
EC Number: 815-213-1、918-962-3
Nikkaji: J11.546K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 72

Physikochemische Eigenschaften

Schmelzpunkt: 235 °C · 235 °C (dec.)(lit.)
Siedepunkt: 197.09 °C · 197.09°C (rough estimate)
Dichte: 1.3895 · 1.3895 (rough estimate)
Brechungsindex: 1.4368 · 1.4368 (estimate)
storage temp.: -15 °C · -15°C
Wasserlöslichkeit: 15.3 g/L · 15.3g/L(20 ºC)
CAS Datenbank: 632 · 632-12-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.