Grundinformationen
- Standard-SMILES
NC(C(=O)O)C1CCCCC1- InChIKey
WAMWSIDTKSNDCU-UHFFFAOYSA-N- Summenformel
- C8H15NO2
- Durchschnittliche Molmasse
- 157,21 g/mol
- Monoisotopische Masse
- 157,11027872
Namen und Bezeichner
- Bevorzugter Name
- Cyclohexylglycine, (+-)-
- IUPAC
- 2-amino-2-cyclohexylacetic acid
- Englischer Name
- Amino-cyclohexyl-acetic acid
- Summenformel
- C8H15NO2
- Molmasse
- 157.21
Namen und Synonyme
2-amino-2-cyclohexylacetic acid5664-29-9NSC-127894LLL792IE9L-(+)-2-Cyclohexylglycinealpha-Aminocyclohexaneacetic acidDTXSID40279475DL-alpha-Aminocyclohexylacetic acidCyclohexaneacetic acid, alpha-amino-.ALPHA.-AMINOCYCLOHEXANEACETIC ACIDDL-.ALPHA.-AMINOCYCLOHEXYLACETIC ACIDCYCLOHEXANEACETIC ACID, .ALPHA.-AMINO-
Weitere Namen anzeigen
L-CYCLOHEXYLGLYCINEH-CHG-OHH-CYCLOHEXYL-GLY-OHL-2-CYCLOHEXYLGLYCINEDL-CHG-OH2-Cyclohexylglycine(S)-CYCLOHEXYLGLYCINE2-CYCLOHEXYL-L-GLYCINE(S)-2-Cyclohexylglycine
RefChem:580857Cyclohexylglycine, (+-)-DTXCID60230629604-343-2846-454-0CyclohexylglycineAmino-cyclohexyl-acetic acidamino(cyclohexyl)acetic acid
Datenbank-Bezeichner
- CAS
14328-51-9、5664-29-9- PubChem CID
- 224391
- DTXSID
DTXSID40279475- UNII
- 4LLL792IE9
- EC Number
- 604-343-2、846-454-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 141
Physikochemische Eigenschaften
- Schmelzpunkt
- 256 °C · 256 °C
- Siedepunkt
- 293 ℃ · 293℃
- Dichte
- 1.12 · 1.120
- Flammpunkt
- 131 ℃ · 131℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.44 · 2.44±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- InChI
- InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)
- InChIKey
- WAMWSIDTKSNDCU-UHFFFAOYSA-N
- SMILES
- C1(C(N)C(O)=O)CCCCC1
- CAS Datenbank
- 5664 · 5664-29-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (66.7%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2922498590
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
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