기본 정보
- CAS
17841-68-8- 표준 SMILES
COC(=O)c1cccc(CN)c1.Cl- InChIKey
UOWRPTFJISFGPI-UHFFFAOYSA-N- 분자식
- C9H12ClNO2
- 평균 분자량
- 201.65 g/mol
- 단동위원소 질량
- 201.0556563
개요
3-Aminomethylbenzoic acid methyl ester hydrochloride is a benzoate ester.
이름 및 식별자
- 우선 이름
- Methyl 3-(aminomethyl)benzoate Hydrochloride
- IUPAC
- methyl 3-(aminomethyl)benzoate;hydrochloride
- 영어명
- Methyl 3-(aminomethyl)benzoate hydrochloride
- 분자식
- C9H12ClNO2
- 분자량
- 201.65
이름 및 동의어
Methyl 3-(aminomethyl)benzoate Hydrochloride17841-68-8DTXSID60383447RefChem:814936DTXCID80334471674-694-4MFCD040391733-aminomethylbenzoic acid methyl ester hydrochloride3-aminomethyl-benzoic acid methyl ester hydrochloridemethyl 3-(aminomethyl)benzoate;hydrochlorideMETHYL 3-(AMINOMETHYL)BENZOATE HCLBenzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1)
이름 더 보기
Methyl 3-(aminomethyl)Methyl 3-aMinoMethylbenzoate HCl(3-methoxycarbonylphenyl)methylazanium3-AminomethylbenzoicacidmethylesterHClMethyl m-(Aminomethyl)benzoate Hydrochloride3-Aminomethyl-benzoic acid methyl ester hydrochloride ,97%3-(aminomethyl)-Benzoic acid methyl ester hydrochloride (1:1)
methyl 3-aminomethylbenzoate hydrochloride(3-methoxycarbonylphenyl)methylazanium;chloridemethyl 3-(aminomethyl)benzoate, chlorideBenzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloridemethyl 3-(aminomethyl)benzoate,hydrochloridemethyl 3-(amino methyl) benzoate hydrochlorideSCHEMBL307062SCHEMBL307891
물성
구조 계산 물성
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 159
물리화학적 성질
- 녹는점
- 177 · 177-179°C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 가루
- 색상
- 하얀색
- InChI
- InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H
- InChIKey
- UOWRPTFJISFGPI-UHFFFAOYSA-N
- SMILES
- C(C1C=CC=C(CN)C=1)(=O)OC.Cl
화학적 성질
White solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
안전 데이터
- HS 번호
- 29163990
- risk_code
- 21/22-36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 22-26-36/37/39
- 위험 참고 사항
- Irritant
화학 및 산업
상·하류 제품 정보
상류 원료
공급사100 곳
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
관련 반응
7건
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