메틸3-(3-아미노메틸페닐)프로파노에이트(HCl)

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

HCID 22282736CAS 223490-68-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)CCc1cccc(CN)c1.Cl
InChIKey: LSPIMZFTGDAXDX-UHFFFAOYSA-N
분자식: C11H16ClNO2
평균 분자량: 229.7 g/mol
단동위원소 질량: 229.0869564

이름 및 식별자

우선 이름: Methyl 3-(3-(aminomethyl)phenyl)propanoate hydrochloride
IUPAC: methyl 3-[3-(aminomethyl)phenyl]propanoate;hydrochloride
현지명: 메틸3-(3-아미노메틸페닐)프로파노에이트(HCl)
영어명: methyl 3-(3-aminomethylphenyl)propanoate(HCl)
분자식: C11H16ClNO2
분자량: 229.7

이름 및 동의어

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

이름 더 보기

메틸3-(3-아미노메틸페닐)프로파노에이트(HCl)

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 182

물리화학적 성질

물리적 상태: 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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.