2-(디메틸아미노메틸)-4-티아졸메탄올

(2-((Dimethylamino)methyl)thiazol-4-yl)methanol

HCID 1838020CAS 78441-69-7

부분 구조 검색 유사 구조 찾기

기본 정보

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 물성

XLogP: 0
극성 표면적: 64.6 Å²
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

GHS 분류

GHS Classification · 4건

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.