CAS 72784-42-0 Methyl 1-aminocyclopropane-1-carboxylate hydrochloride (HCID 12760695)

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Grundinformationen

CAS: 72784-42-0
Standard-SMILES: COC(=O)C1(N)CC1.Cl
InChIKey: CHSDCWKLSHPKFY-UHFFFAOYSA-N
Summenformel: C5H10ClNO2
Durchschnittliche Molmasse: 151,59 g/mol
Monoisotopische Masse: 151,0400063

Namen und Bezeichner

Bevorzugter Name: Methyl 1-aminocyclopropane-1-carboxylate hydrochloride
IUPAC: methyl 1-aminocyclopropane-1-carboxylate;hydrochloride
Englischer Name: Methyl 1-aminocyclopropanecarboxylate hydrochloride
Summenformel: C5H10ClNO2
Molmasse: 151.59

Namen und Synonyme

methyl 1-aminocyclopropane-1-carboxylate hydrochlorideRefChem:812674831-734-772784-42-0Methyl 1-aminocyclopropanecarboxylate hydrochloride1-Aminocyclopropane-1-carboxylic acid methyl ester hydrochlorideMFCD00078879Methyl 1-aminocyclopropanecarboxylate HClmethyl 1-aminocyclopropane-1-carboxylate;hydrochlorideMethyl 1-aminocyclopropane-1-carboxylate HCl(1-methoxycarbonylcyclopropyl)azanium;chlorideCHSDCWKLSHPKFY-UHFFFAOYSA-N

Weitere Namen anzeigen

1, 1-ACCP(OME)H-ACPC-OMe·HClACC Methyl Ester Hydrochloride1-aminocyclopropane-1-carboxylic acid*methyl este1-Aminocyclopropane-1-carboxylicacidmethylesterHCl1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACIDMET HYL ESTERMethyle1-aminocyclopropanecarboxylate hydrochloride1-AMino-cyclopropanecarboxylic acid Methyl ester HCl

1-Aminocyclopropanecarboxylic Acid Methyl Ester Hydrochloride; ACC Methyl Ester Hydrochloride; Methyl 1-Aminocyclopropanecarboxylate Hydrochloride;ACPC-OMe HClCyclopropanecarboxylic acid, 1-amino-, methyl ester, hydrochlorideA837617SCHEMBL233616DTXSID50509210SBB070037AKOS005145950

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-186
storage temp.: 2 · 2-8°C
Löslichkeit: Methanol, Water
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
Stabilität: -20 °C · Store in freezer at -20°C
InChI: 1S/C5H9NO2.ClH/c1-8-4(7)5(6)2-3-5;/h2-3,6H2,1H3;1H
InChIKey: CHSDCWKLSHPKFY-UHFFFAOYSA-N
SMILES: Cl.COC(=O)C1(N)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 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)

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