Allysine ethylene acetal

HCID 11041524CAS 215054-80-1

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Grundinformationen

Standard-SMILES: N[C@@H](CCCC1OCCO1)C(=O)O
InChIKey: RQULWPSGQYZREI-LURJTMIESA-N
Summenformel: C8H15NO4
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,10010796

Namen und Bezeichner

Bevorzugter Name: Allysine ethylene acetal
IUPAC: (2S)-2-amino-5-(1,3-dioxolan-2-yl)pentanoic acid
Englischer Name: (S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID
Summenformel: C8H15NO4
Molmasse: 189.21

Namen und Synonyme

allysine ethylene acetalRefChem:405766L-Allysine ethylene acetal215054-80-1(2S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)PENTANOIC ACID(S)-2-Amino-5-(1,3-dioxolan-2-yl)pentanoic acidSCHEMBL231631CHEBI:184275DTXSID801262449MFCD07778443AKOS0062812125-(1,3-Dioxolan-2-yl)-L-norvaline

Weitere Namen anzeigen

L-AllysinethylenacetalL-Allysine ethylene acetal >=98% (TLC)(αS)-α-Amino-1,3-dioxolane-2-pentanoic acid1,3-Dioxolane-2-pentanoic acid, α-amino-, (αS)-(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID USP/EP/BP

HY-W141990CS-0201778L-Allysine ethylene acetal, >=98% (TLC)(S)-alpha-amino-1,3-dioxolane-2-pentanoic acid5-(1,3-dioxolan-2-yl)-(S)-2-amino-pentanoic acid(I+/-S)-I+/--Amino-1,3-dioxolane-2-pentanoic acid

Datenbank-Bezeichner

CAS: 215054-80-1
PubChem CID: 11041524
DTXSID: DTXSID801262449
ChEBI: CHEBI:184275
EC Number: 606-785-1
Nikkaji: J1.255.141J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,7
Polarare Oberfläche (TPSA): 81,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 13
Formalladung: 0
Komplexität: 168

Physikochemische Eigenschaften

Schmelzpunkt: 200 °C · >200 °C (decomp)
Siedepunkt: 338.7 · 338.7±27.0 °C(Predicted)
Dichte: 1.208 · 1.208±0.06 g/cm3(Predicted)
pka: 2.53 · 2.53±0.24(Predicted)
Aggregatzustand: solid
Farbe: White
Major Application: peptide synthesis
InChI: 1S/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1
InChIKey: RQULWPSGQYZREI-LURJTMIESA-N
SMILES: N[C@@H](CCCC1OCCO1)C(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 38 reports by companies.；There are 0 notifications provided by 0 of 38 reports by companies with hazard statement code(s).；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.