Methyl 3-(3-(aminomethyl)phenyl)propanoate hydrochloride

HCID 22282736CAS 223490-68-4

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Grundinformationen

Standard-SMILES: COC(=O)CCc1cccc(CN)c1.Cl
InChIKey: LSPIMZFTGDAXDX-UHFFFAOYSA-N
Summenformel: C11H16ClNO2
Durchschnittliche Molmasse: 229,7 g/mol
Monoisotopische Masse: 229,0869564

Namen und Bezeichner

Bevorzugter Name: Methyl 3-(3-(aminomethyl)phenyl)propanoate hydrochloride
IUPAC: methyl 3-[3-(aminomethyl)phenyl]propanoate;hydrochloride
Englischer Name: methyl 3-(3-aminomethylphenyl)propanoate(HCl)
Summenformel: C11H16ClNO2
Molmasse: 229.7

Namen und Synonyme

223490-68-4methyl 3-[3-(aminomethyl)phenyl]propanoate hydrochloridemethyl 3-(3-(aminomethyl)phenyl)propanoate hydrochlorideRefChem:814816851-870-0methyl 3-(3-aminomethylphenyl)propionate hydrochlorideMFCD17015027methyl 3-[3-(aminomethyl)phenyl]propanoate;hydrochlorideMETHYL 3-(3-AMINOMETHYLPHENYL)PROPANOATE(HCL)methyl 3-[3-(aminomethyl)phenyl]propionate hydrochlorideSCHEMBL5043212LSPIMZFTGDAXDX-UHFFFAOYSA-N

Weitere Namen anzeigen

AKOS038557754SY464376CS-0257759G25625EN300-6766689Z36888484963-(3-aminomethyl--phenyl)-propionic acid methyl ester hydrochloride salt3-(3-aminomethyl-phenyl)-propionic acid methy ester hydrochloride salt

Datenbank-Bezeichner

CAS: 223490-68-4
PubChem CID: 22282736
EC Number: 851-870-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Aggregatzustand: solid
InChI: 1S/C11H15NO2.ClH/c1-14-11(13)6-5-9-3-2-4-10(7-9)8-12;/h2-4,7H,5-6,8,12H2,1H3;1H
InChIKey: LSPIMZFTGDAXDX-UHFFFAOYSA-N
SMILES: NCC1=CC=CC(CCC(OC)=O)=C1.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.