N-(2-Aminoethyl)-4-methylbenzenesulfonamide

HCID 301318

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14316-16-6
표준 SMILES: Cc1ccc(S(=O)(=O)NCCN)cc1
InChIKey: JATMCAQQSXISOR-UHFFFAOYSA-N
분자식: C9H14N2O2S
평균 분자량: 214.29 g/mol
단동위원소 질량: 214.07759869

이름 및 식별자

우선 이름: N-(2-Aminoethyl)-4-methylbenzenesulfonamide
IUPAC: N-(2-aminoethyl)-4-methylbenzenesulfonamide
영어명: N-(2-aminoethyl)-4-methyl-benzenesulfonamide
분자식: C9H14N2O2S
분자량: 214.28

이름 및 동의어

N-(2-Aminoethyl)-4-methylbenzenesulfonamide14316-16-6N-(2-Aminoethyl)-p-toluenesulfonamideDTXSID40306614RefChem:824933DTXCID70257741626-866-5n-tosylethylenediamineMFCD00089604n-(p-toluenesulfonyl)ethylene diamineN-(2-aminoethyl)-4-methylbenzene-1-sulfonamideN-(p-Toluenesulfonyl)-ethylene diamine

이름 더 보기

BenzenesulfonaMide,N-(2-aMinoethyl)-4-Methyl-N-Tosylethylenediamine 97%N-(2-AMinoethyl)-4-toluene- sulfonaMideN-(4-Toluenesulfonyl)ethylene- 1,2-diaMine

NSC 177937N-(2-aminoethyl)-4-methyl-benzenesulfonamidetoseneN-p-Tolylsulfonylethylenediamine1,2-diamineNSC177937N-tosyl-ethylenediamine2-[[(4-Methylphenyl)sulfonyl]amino]ethylamine

데이터베이스 식별자

CAS: 14316-16-6
PubChem CID: 301318
DTXSID: DTXSID40306614
EC Number: 626-866-5
Nikkaji: J1.024.640G

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 250

물리화학적 성질

녹는점: 122 · 122-126 °C
끓는 점: 363.1 · 363.1±52.0 °C(Predicted)
밀도: 1.214 · 1.214±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: solid
산도 계수 (pKa): 11.24 · 11.24±0.10(Predicted)
InChI: 1S/C9H14N2O2S/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChIKey: JATMCAQQSXISOR-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)NCCN

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

안전 데이터

wgk: 3
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-(2-aminoethyl)-4-methyl-benzenesulfonamide is used in the synthesis of N-(2-tosylamidoethyl)monoazacrown ethers.

공급사57 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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