Cyclohexylalanine

HCID 95475

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 27527-05-5
Standard-SMILES: NC(CC1CCCCC1)C(=O)O
InChIKey: ORQXBVXKBGUSBA-UHFFFAOYSA-N
Summenformel: C9H17NO2
Durchschnittliche Molmasse: 171,24 g/mol
Monoisotopische Masse: 171,12592879

Namen und Bezeichner

Bevorzugter Name: Cyclohexylalanine
IUPAC: 2-amino-3-cyclohexylpropanoic acid
Englischer Name: L-Cyclohexylalanine
Summenformel: C9H17NO2
Molmasse: 171.24

Namen und Synonyme

4441-50-3NSC-127943B09YU0I303-CYCLOHEXYLALANINE, DL-Cyclohexanepropanoic acid, alpha-amino-RefChem:129699DTXCID4042642782017-30-9CyclohexylalanineDTXSID404756172-amino-3-cyclohexylpropanoic acidCyclohexanealanine

Weitere Namen anzeigen

(S)-2-AMino-3-cyclohexylpropanoic acidH-L-CHA-OHL-CHACha-OHL-CHA-OH(S)-CYCLOHEXYLALANINE3-CYCLOHEXYL-L-ALANINEH-CHA-OH HCL

3-Cyclohexyl-DL-alanineH-Cha-OHMFCD00996128H-D-Cha-OH . HClH-beta-Cyclohexyl-D-Ala-OH HCl2-amino-3-cyclohexyl-propanoic acidSCHEMBL43515B-CYCLOHEXYL-D-ALANINE

Datenbank-Bezeichner

CAS: 27527-05-5、4441-50-3
PubChem CID: 95475
ChEBI: CHEBI:230206
UNII: 3B09YU0I30
EC Number: 839-318-7、875-650-9
Nikkaji: J2.297.263D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 322 °C · 322 °C
Siedepunkt: 307.1 · 307.1±25.0 °C(Predicted)
Dichte: 1.075 · 1.075±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 2.33 · 2.33±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to off-white
InChI: InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/s3
InChIKey: ORQXBVXKBGUSBA-SBYBRXNCNA-N
SMILES: C1(CCCCC1)C[C@H](N)C(=O)O |&1:7,r|
CAS Datenbank: 27527 · 27527-05-5(CAS DataBase Reference)

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 3 reports by companies from 3 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.