Methyl 4-(aminomethyl)benzoate hydrochloride

HCID 2729253CAS 6232-11-7

기본 정보

표준 SMILES: COC(=O)c1ccc(CN)cc1.Cl
InChIKey: GIZCKBSSWNIUMZ-UHFFFAOYSA-N
분자식: C9H12ClNO2
평균 분자량: 201.65 g/mol
단동위원소 질량: 201.0556563

이름 및 식별자

우선 이름: Methyl 4-(aminomethyl)benzoate hydrochloride
IUPAC: methyl 4-(aminomethyl)benzoate;hydrochloride
영어명: METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE
분자식: C9H12ClNO2
분자량: 201.65

이름 및 동의어

Methyl 4-(aminomethyl)benzoate hydrochlorideRefChem:815980806-281-36232-11-7MFCD00182671methyl 4-aminomethyl-benzoate hydrochloridemethyl 4-(aminomethyl)benzoate;hydrochloride4-(Aminomethyl)benzoic Acid Methyl Ester HydrochlorideCS-W001885DS-1571SY014877Methyl 4-(aminomethyl)-benzoate hydrochloride

이름 더 보기

BUTTPARK 33\11-774-(Aminomethyl)benzoate hclMethyl4-(aminomethyl)benzoateHCl4-(Aminomethyl)benzoate monohydrochloride4-METHOXYCARBONYL-BENZYLAMINE HYDROCHLORIDEMethyl p-(Aminomethyl)benzoate HydrochlorideMethyl4-(Aminomethyl)benzoateHydrochloride>Methyl 4-(aMinoMethyl)benzoate hydrochloride 97%Methyl 4-(aminomethyl)benzoate hydrochloride,97%

4-Aminomethylbenzoic acid methyl ester, hydrochloride saltmethyl 4-(aminomethyl)benzoate, chlorideMethyl4-(Aminomethyl)benzoateHydrochlorideMETHYL 4-(AMINOMETHYL)BENZOATE HCLMethyl-4-(aminomethyl)benzoate hydrochloride4-carbomethoxy-be4-(Aminomethyl)benzoate hydrochlorideBenzoic acid, 4-(aminomethyl)-, methyl ester, hydrochloride

데이터베이스 식별자

CAS: 6232-11-7
PubChem CID: 2729253
DTXSID: DTXSID30977872
EC Number: 806-281-3

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 243 °C · 243 °C (dec.)(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H
InChIKey: GIZCKBSSWNIUMZ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(CN)C=C1.[H]Cl

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 4-(aminomethyl)benzoate hydrochloride may be used in the preparation of methyl 4-((3-butyl-3-phenylureido)methyl)benzoate.

일반 설명Methyl 4-(aminomethyl)benzoate hydrochloride is an amino acid ester hydrochloride. Its synthesis by esterification reaction has been reported. It plays a role during the preparation of a novel hepatitis C virus (HCV) helicase inhibitor.