1,4-디아미노-9,10-디히드로-9,10-디옥소안트라센-2-술폰산

1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

HCID 77725CAS 4095-85-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O
InChIKey: DZXNARMBWJFBGD-UHFFFAOYSA-N
분자식: C14H10N2O5S
평균 분자량: 318.31 g/mol
단동위원소 질량: 318.03104242

이름 및 식별자

우선 이름: 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
IUPAC: 1,4-diamino-9,10-dioxoanthracene-2-sulfonic acid
현지명: 1,4-디아미노-9,10-디히드로-9,10-디옥소안트라센-2-술폰산
영어명: 1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
분자식: C14H10N2O5S
분자량: 318.3046

이름 및 동의어

4095-85-61,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidEINECS 223-846-4DTXSID201939481,4-Diamino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidRefChem:416656DTXCID60116439223-846-41,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid1,4-diaminoanthraquinone-2-sulfonic acidCDS1_000266Maybridge1_002554

이름 더 보기

1,4-디아미노-9,10-디히드로-9,10-디옥소안트라센-2-술폰산1 ,4-diaminoanthraquinone-2-sulfonc acid1,4-diamino-9,10-dioxoanthracene-2-sulfonicaci1,4-diamino-9,10-dioxoanthracene-2-sulfonic acid1,4-diamino-9,10-diketo-anthracene-2-sulfonic acid1,4-bis(azanyl)-9,10-dioxo-anthracene-2-sulfonic acid1,4-diamino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid

32GAA24YNWDivK1c_001306SCHEMBL3363864SCHEMBL29506785HMS548M021,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1,4-Diamino-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid2-Anthracenesulfonic acid, 1,4-diamino-9,10-dihydro-9,10-dioxo-

데이터베이스 식별자

CAS: 4095-85-6
PubChem CID: 77725
DTXSID: DTXSID20193948
UNII: 32GAA24YNW
EC Number: 223-846-4
Nikkaji: J32.540F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 149 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 22
형식 전하: 0
복잡도: 599

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)

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