Grundinformationen
- Standard-SMILES
O=C(O)CN(CCO)CC(=O)O- InChIKey
JYXGIOKAKDAARW-UHFFFAOYSA-N- Summenformel
- C6H11NO5
- Durchschnittliche Molmasse
- 177,16 g/mol
- Monoisotopische Masse
- 177,06372245
Namen und Bezeichner
- Bevorzugter Name
- (2-Hydroxyethyl)iminodiacetic acid
- IUPAC
- 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
- Lokaler Name
- 2-Hydroxyethyliminodi(essigsure)
- Englischer Name
- N-(2-Hydroxyethyl)iminodiacetic acid
- Summenformel
- C6H11NO5
- Molmasse
- 177.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
93-62-9- PubChem CID
- 7152
- DTXSID
DTXSID4042177- ChEBI
CHEBI:143268- UNII
- BPQ4R5AF5K
- EC Number
- 202-263-9
- Nikkaji
- J55.322K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,5
- Polarare Oberfläche (TPSA)
- 98,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 153
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 178 °C · 178 °C (lit.)
- Siedepunkt
- 309.06 °C · 309.06°C (rough estimate)
- Dichte
- 1.4347 · 1.4347 (rough estimate)
- Dampfdruck
- 8.398 hPa · 8.398hPa at 21.1℃
- Brechungsindex
- 1.423 · 1.4230 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- Löslichkeit
- 0.1 M · 0.1 M NaOH: 50 mg/mL, clear
- Aggregatzustand
- powder to crystal
- pka
- 1 · pK1:2.2;pK2:8.65 (25°C,μ=0.1)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 18.61 g/L · 18.61g/L at 25℃
- BRN
- 1780628 · 1780628
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
- InChIKey
- JYXGIOKAKDAARW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CN(CC(O)=O)CCO
- LogP
- -1.17 at · -1.17 at 25℃
- CAS Datenbank
- 93 · 93-62-9(CAS DataBase Reference)
- EPA chemische Informationen
- N-(2-Hydroxyethyl)iminodiacetic acid (93-62-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (57.9%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (11.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (23.2%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (64.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (23.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (22.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 190 reports by companies from 8 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.
Gefahrenhinweise
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258
Regulatorische Informationen
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29252900
- RTECS-Nr.
- AI1925000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenN-(2-Hydroxyethyl)iminodiacetic Acid (cas# 93-62-9) is a compound useful in organic synthesis.
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