3-(2-METHYL-1,3-THIAZOL-4-YL)아닐린

3-(2-Methyl-thiazol-4-yl)-phenylamine

HCID 736535CAS 89250-34-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(-c2cccc(N)c2)cs1
InChIKey: CPHZPWZSSBCSAH-UHFFFAOYSA-N
분자식: C10H10N2S
평균 분자량: 190.27 g/mol
단동위원소 질량: 190.05646932

개요

3-(2-Methyl-1,3-thiazol-4-yl)aniline is a substituted aniline.

이름 및 식별자

우선 이름: 3-(2-Methyl-thiazol-4-yl)-phenylamine
IUPAC: 3-(2-methyl-1,3-thiazol-4-yl)aniline
현지명: 3-(2-METHYL-1,3-THIAZOL-4-YL)아닐린
영어명: 3-(2-Methyl-1,3-thiazol-4-yl)aniline
분자식: C10H10N2S
분자량: 190.26

이름 및 동의어

3-(2-Methyl-thiazol-4-yl)-phenylamineRefChem:491188692-413-389250-34-03-(2-methyl-1,3-thiazol-4-yl)aniline3-(2-Methylthiazol-4-yl)aniline4-(3-Aminophenyl)-2-methylthiazoleMFCD025798733-(2-methylthiazol-4-yl)benzenamineF0804-15653-(2-methyl-1,3-thiazol-4-yl)phenylamineMLS000102882

이름 더 보기

3-(2-METHYL-1,3-THIAZOL-4-YL)아닐린IFLAB-BB F1912-00113-(2-methyl-4-thiazolyl)aniline2-METHYL-4-(3-AMINOPHENYL)THIAZOLEBenzenamine, 3-(2-methyl-4-thiazolyl)-4-(3-Aminophenyl)-2-methyl-1,3-thiazole

56KOprea1_237956SCHEMBL219238IFLab1_003704orb3031258CHEMBL1412409TIMTEC-BB SBB010132DTXSID40353062

데이터베이스 식별자

CAS: 89250-34-0
PubChem CID: 736535
DTXSID: DTXSID40353062
ChEMBL: CHEMBL1412409
ChEBI: CHEBI:194921
EC Number: 692-413-3

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 102 · 102-106 °C (lit.)
끓는 점: 380.6 · 380.6±25.0 °C(Predicted)
밀도: 1.219 · 1.219±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 3.71 · 3.71±0.10(Predicted)
InChI: 1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKey: CPHZPWZSSBCSAH-UHFFFAOYSA-N
SMILES: Cc1nc(cs1)-c2cccc(N)c2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.