1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone

HCID 19825832

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3763-06-2
표준 SMILES: CC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21
InChIKey: JEOGFTYLESYHAM-UHFFFAOYSA-N
분자식: C18H21N3OS
평균 분자량: 327.4 g/mol
단동위원소 질량: 327.14053348

이름 및 식별자

우선 이름: 1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone
IUPAC: 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
영어명: 1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone
분자식: C18H21N3OS
분자량: 327.44

이름 및 동의어

1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanoneRefChem:422972690-930-9Acetyl Methylene Blue3763-06-21-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone1-[3,7-Bis(dimethylamino)-10H-phenothiazin-10-yl]ethan-1-one1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethan-1-oneAcetylated Methylene BlueAcetylated Methylene Blue; 1-[3,7-Bis(dimethylamino)-10H-phenothiazin-10-yl]ethanone; 1-[3,7-Bis(dimethylamino)phenothiazin-10-yl]ethanone; 10-Acetyl-3,7-bis(dimethylamino)-phenothiazine; 10-Acetyl-N,N,N',N'-tetramethyl-10H-phenothiazine-3,7-diamine;Azure A Impurity 2

이름 더 보기

Ethanone, 1-[3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]-10-acetyl-N(3),N(3),N(7),N(7)-tetramethyl-10H-phenothiazine-3,7-diamine

7GYF7PUX8Vorb2646164SCHEMBL1208061CHEMBL4789463SCHEMBL29557693DTXSID40600361JEOGFTYLESYHAM-UHFFFAOYSA-N10H-Phenothiazine-3,7-diamine, 10-acetyl-N,N,N',N'-tetramethyl-

데이터베이스 식별자

CAS: 3763-06-2
PubChem CID: 19825832
DTXSID: DTXSID40600361
ChEMBL: CHEMBL4789463
UNII: 7GYF7PUX8V
EC Number: 690-930-9

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 23
형식 전하: 0
복잡도: 410

물리화학적 성질

저장 조건: Room Temperature
용해도: 클로로포름; 디클로로메탄; 아세톤; 메탄올 에 용해됨
물리적 상태: 가루
색상: 녹색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.