2-(디메틸아미노메틸)-4-티아졸메탄올
(2-((Dimethylamino)methyl)thiazol-4-yl)methanol
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기본 정보
- CAS
78441-69-7- 표준 SMILES
CN(C)Cc1nc(CO)cs1- InChIKey
BIEFSXASVIQOOS-UHFFFAOYSA-N- 분자식
- C7H12N2OS
- 평균 분자량
- 172.25 g/mol
- 단동위원소 질량
- 172.06703418
이름 및 식별자
- 우선 이름
- (2-((Dimethylamino)methyl)thiazol-4-yl)methanol
- IUPAC
- [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
- 현지명
- 2-(디메틸아미노메틸)-4-티아졸메탄올
- 영어명
- 2-(Dimethylaminomethyl)-4-thiazolemethanol
- 분자식
- C7H12N2OS
- 분자량
- 172.25
이름 및 동의어
(2-((dimethylamino)methyl)thiazol-4-yl)methanol[2-[(dimethylamino)methyl]thiazol-4-yl]methanolRefChem:394784809-745-378441-69-7{2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol2-(Dimethylaminomethyl)-4-thiazolemethanolNizatidine EP Impurity J[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol6K6QKG6ALNMFCD064076474-Thiazolemethanol, 2-[(dimethylamino)methyl]-
이름 더 보기
2-(디메틸아미노메틸)-4-티아졸메탄올CBI-BB ZERO/005461Nizatidine Impurity 15Nizatidine EP impurity 12-(Dimethylaminomethyl)-4-thiazolemethano2-(Dimethylaminomethyl)thiazole-4-methanol[2-[(dimethylamino)methyl]-4-thiazolyl]methanolNizatidine Impurity 10(Nizatidine EP Impurity J)
2-Dimethylaminomethyl-4-hydroxymethylthiazole2-[(Dimethylamino)methyl]-4-thiazolemethanolUNII-6K6QKG6ALNNizatidine impurity J [EP](2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl)methanol2-((Dimethylamino)methyl)-4-thiazolemethanol(2-Dimethylaminomethyl-thiazol-4-yl)-methanol4-Thiazolemethanol, 2-((dimethylamino)methyl)-
데이터베이스 식별자
- CAS
78441-69-7- PubChem CID
- 1838020
- DTXSID
DTXSID30365356- UNII
- 6K6QKG6ALN
- EC Number
- 809-745-3
- Nikkaji
- J470.155K
물성
구조 계산 물성보충 중
- XLogP
- 0
- 극성 표면적
- 64.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 121
물리화학적 성질
- 끓는 점
- 273.1 · 273.1±25.0 °C(Predicted)
- 밀도
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 13.22 · 13.22±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAquatic Chronic 2 (97.4%)
안전 데이터
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
화학 및 산업
응용 분야
용도2-[(Dimethylamino)methyl]-4-thiazolemethanol is an impurity of the histamine H2-receptor antagonist Nizatidine (N598500).
관련 반응
49건
화합물 노트
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