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

HCID 22282736

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Basic information

CAS: 223490-68-4
Standard SMILES: COC(=O)CCc1cccc(CN)c1.Cl
InChIKey: LSPIMZFTGDAXDX-UHFFFAOYSA-N
Molecular formula: C11H16ClNO2
Average molar mass: 229.7 g/mol
Monoisotopic mass: 229.0869564

Names & identifiers

Preferred name: Methyl 3-(3-(aminomethyl)phenyl)propanoate hydrochloride
IUPAC: methyl 3-[3-(aminomethyl)phenyl]propanoate;hydrochloride
English name: methyl 3-(3-aminomethylphenyl)propanoate(HCl)
Molecular formula: C11H16ClNO2
Molecular weight: 229.7

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 182

Physicochemical properties

form: 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
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H335-H319
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P