Methyl 3-cyclohexyl-D-alaninate--hydrogen chloride (1/1)

HCID 56777179

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Grundinformationen

CAS: 144644-00-8
Standard-SMILES: COC(=O)[C@H](N)CC1CCCCC1.Cl
InChIKey: YLESODBCBYZUCT-SBSPUUFOSA-N
Summenformel: C10H20ClNO2
Durchschnittliche Molmasse: 221,72 g/mol
Monoisotopische Masse: 221,11825656

Namen und Bezeichner

Bevorzugter Name: Methyl 3-cyclohexyl-D-alaninate--hydrogen chloride (1/1)
IUPAC: methyl (2R)-2-amino-3-cyclohexylpropanoate;hydrochloride
Englischer Name: 3-Cyclohexyl-D-alanine methyl ester hydrochloride
Summenformel: C10H19NO2.ClH
Molmasse: 221.72

Namen und Synonyme

144644-00-8DTXSID60718518Methyl 3-cyclohexyl-D-alaninate--hydrogen chloride (1/1)RefChem:354969DTXCID70669264H-D-Cha-OMe.HCl3-Cyclohexyl-D-alanine methyl ester hydrochlorideMFCD00797542methyl (2R)-2-amino-3-cyclohexylpropanoate;hydrochlorideMethyl 3-cyclohexyl-D-alaninate hydrochlorideMethyl (R)-2-amino-3-cyclohexylpropanoate hydrochlorideD-CHA-OME HCl

Weitere Namen anzeigen

H-D-CHA-OME HCLD-CYCLOHEXYLALANINE METHYL ESTER HCL3-Cyclohexyl-d-alanine Methyl ester, HClMethyl (R)-a-amino-cyclohexanepropanoate HClD-CYCLOHEXYLALALININE METHYL ESTER HYDROCHLORIDE-Cyclohexyl-D-alanine methyl ester hydrochlorideD-3-Cyclohexyl Alanine methyl ester Hydrochloride

YLESODBCBYZUCT-SBSPUUFOSA-NR-Cyclohexylalanine methyl ester hydrochloride(R)-METHYL 2-AMINO-3-CYCLOHEXYLPROPANOATE HCLSCHEMBL3207528methyl (2R)-2-amino-3-cyclohexylpropanoate hydrochlorideMethyl (R)-cyclohexylalanine HClAKOS015999447Cyclohexanepropanoic acid, alpha-amino-, methyl ester, hydrochloride (1:1), (alphaR)-

Datenbank-Bezeichner

CAS: 144644-00-8
PubChem CID: 56777179
DTXSID: DTXSID60718518
EC Number: 984-306-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
Farbe: White to off-white
InChI: InChI=1/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H/t9-;/s3
InChIKey: YLESODBCBYZUCT-OVMXBOEKNA-N
SMILES: C1(CCCCC1)C[C@@H](N)C(=O)OC.Cl |&1:7,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2922498590
risk_code: 22-41
hazard_code: Xn

Chemie und Industrie

Anwendungen

Verwenden3-Cyclohexyl-d-alanine Methyl Ester Hydrochloride is a reagent used in the design and in the synthesis of activated protein C (APC) inhibitors with selectivity against thrombin for the treatment of haemophilia.