5-아미노-3-메틸이소티아졸염산염
3-Methylisothiazol-5-ylamine hydrochloride
기본 정보
- CAS
52547-00-9- 표준 SMILES
Cc1cc(N)sn1.Cl- InChIKey
ZRTGHKVPFXNDHE-UHFFFAOYSA-N- 분자식
- C4H7ClN2S
- 평균 분자량
- 150.63 g/mol
- 단동위원소 질량
- 150.0018471
이름 및 식별자
- 우선 이름
- 3-Methylisothiazol-5-ylamine hydrochloride
- IUPAC
- 3-methyl-1,2-thiazol-5-amine;hydrochloride
- 현지명
- 5-아미노-3-메틸이소티아졸염산염
- 영어명
- 5-Amino-3-methylisothiazole hydrochloride
- 분자식
- C4H7ClN2S
- 분자량
- 150.63
이름 및 동의어
3-Methylisothiazol-5-ylamine hydrochloride5-Isothiazolamine, 3-methyl-, hydrochloride (1:1)RefChem:504269257-997-252547-00-95-Amino-3-methylisothiazole hydrochloride3-methylisothiazol-5-amine hydrochloride5-Amino-3-methyl-isothiazole hydrochloride5-amino-3-methylisothiazole hcl3-methyl-isothiazol-5-ylamine hydrochloride3-methyl-1,2-thiazol-5-amine HydrochlorideMFCD00012716
이름 더 보기
5-아미노-3-메틸이소티아졸염산염TIMTEC-BB SBB004066LABOTEST-BB LT000807923-METHYL-5-AMINO-ISOTHIAZOLE HCL5-AMINO-3-METHYL ISOTHIAZOLE HCLisothiazol-5-aMine (Hydrochloride)5-amino-3-MethylisothozoleHydrochloride3-methyl-5-isothiazolaminehydrochloride3-AMINO-5-METHYLISOTHIAZOLE HYDROCHLORIDE
3-methyl-1,2-thiazol-5-amine;hydrochloride5-ISOTHIAZOLAMINE, 3-METHYL-, MONOHYDROCHLORIDE3-methylisothiazole-5-ylamine, chloride3-methylisothiazol-5-amine;hydrochlorideH2NFR7BJQ3SCHEMBL1870273-Methylisothiazol-5-amine HClDTXSID60966976
데이터베이스 식별자
- CAS
52547-00-9- PubChem CID
- 2723918
- DTXSID
DTXSID60966976- UNII
- H2NFR7BJQ3
- EC Number
- 257-997-2
물성
구조 계산 물성
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 66.7
물리화학적 성질
- 녹는점
- 300 °C · 300 °C(lit.)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- powder
- BRN
- 3689447 · 3689447
- InChI
- InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
- InChIKey
- ZRTGHKVPFXNDHE-UHFFFAOYSA-N
- SMILES
- C1(C)=NSC(N)=C1.Cl
화학적 성질
5-AMINO-3-METHYLISOTHIAZOLE HYDROCHLORIDE is white to light yellow crystal powde
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 2 reports by companies from 2 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
- rtecs
- NX8150300
- HS 번호
- 2930909899
- safety_code
- 22-24/25
- F 고인화성물질
- 10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도5-AMINO-3-METHYLISOTHIAZOLE HYDROCHLORIDE is used for pharmacological studies as a precursor for:• ;MMP12 inhibitors1• ;Aurora kinase inhibitors2• ;N-Heterocyclic indolyl glyoxylamides as anticancer agents3
관련 반응
67건
화합물 노트
불러오는 중…