3-(1H-imidazol-1-yl)propanoic acid
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
18999-45-6- Standard-SMILES
O=C(O)CCn1ccnc1- InChIKey
VSFNAZLYGOOSEY-UHFFFAOYSA-N- Summenformel
- C6H8N2O2
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,0585775
Namen und Bezeichner
- Bevorzugter Name
- 3-(1H-imidazol-1-yl)propanoic acid
- IUPAC
- 3-imidazol-1-ylpropanoic acid
- Englischer Name
- 3-IMIDAZOL-1-YL-PROPIONIC ACID
- Summenformel
- C6H8N2O2
- Molmasse
- 140.14
Namen und Synonyme
18999-45-63-(1H-imidazol-1-yl)propanoic acid3-Imidazol-1-yl-propionic acid3-imidazol-1-ylpropanoic acidCHEBI:156055DTXSID80383348RefChem:92080DTXCID00334372837-653-31H-Imidazole-1-propanoic acid3-(1-Imidazolyl)propanoic AcidMFCD02731119
Weitere Namen anzeigen
AKOS MSC-0002AKOS BBS-000025093-(1H-imidazol-1-yTIMTEC-BB SBB0073683-(IMIDAZOLE-1-YL)-PROPIONIC ACID
CHEMBL207243-(1-imidazolyl)propionic acid3-imidazolylpropanoic acidF1727-02633-imidazolepropionic acid3-(1-Imidazolyl)propanoicAcidSCHEMBL2001103SCHEMBL5982009
Datenbank-Bezeichner
- CAS
18999-45-6- PubChem CID
- 2794718
- DTXSID
DTXSID80383348- ChEMBL
CHEMBL20724- ChEBI
CHEBI:156055- EC Number
- 837-653-3
- Nikkaji
- J472.835A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 127
Physikochemische Eigenschaften
- Schmelzpunkt
- 147 · 147-149
- Siedepunkt
- 390.9 · 390.9±25.0 °C(Predicted)
- Dichte
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 4.2 · 4.20±0.10(Predicted)
- Farbe
- White to off white
- InChI
- 1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
- InChIKey
- VSFNAZLYGOOSEY-UHFFFAOYSA-N
- SMILES
- OC(=O)CCn1ccnc1
- CAS Datenbank
- 18999 · 18999-45-6
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933299090
- risk_code
- 37/38-41
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-39
- hazard_class
Chemie und Industrie
Anbieter64 Anbieter
河北凡博医药科技有限公司15588346797 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Zugehörige Reaktionen
8
Notizen zur Verbindung
Wird geladen…