8-Aminonaphthalene-1,3,6-trisulfonic acid

HCID 64951CAS 117-42-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12
InChIKey: UBDHSURDYAETAL-UHFFFAOYSA-N
분자식: C10H9NO9S3
평균 분자량: 383.4 g/mol
단동위원소 질량: 382.94394387

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름: 8-Aminonaphthalene-1,3,6-trisulfonic acid
IUPAC: 8-aminonaphthalene-1,3,6-trisulfonic acid
영어명: Koch acid
분자식: C10H9NO9S3
분자량: 383.37

이름 및 동의어

117-42-01,3,6-Naphthalenetrisulfonic acid, 8-amino-Koch's acid8-Aminonaphthalene-1,3,6-trisulfonic acid8-Amino-1,3,6-naphthalenetrisulfonic acid1-Aminonaphthalene-3,6,8-trisulfonic acidD33V8NB7KBNSC-227195DTXSID5059454RefChem:547540aminonaphthalenetrisulfonic acidDTXCID1033400

이름 더 보기

2-NaphthylKochaciNSC 227195Koch acid ISO 9001：2015 REACH6-naphthalenetrisulfonic acid, 8-amino-31,3,6-Naphthalenetrisulfonic acid,8-amino-3,6-Naphthalenetrisulfonic acid, 8-amino-1

1,3,6-ANTS8-aminonapthalene 1,3,6-trisulfonate204-188-7Koch acidAmino-H acidT Acid1-Naphthylamine-3,6,8-trisulfonic acid3,6,8-Trisulfo-1-naphthylamine

데이터베이스 식별자

CAS: 117-42-0、5398-34-5
PubChem CID: 64951
DTXSID: DTXSID5059454
ChEMBL: CHEMBL145537
UNII: D33V8NB7KB
EC Number: 204-188-7
Nikkaji: J173.257I

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 214 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 10
회전 가능 결합 수: 3
무거운 원자 수: 23
형식 전하: 0
복잡도: 756

물리화학적 성질

밀도: 1.974 · 1.974
산도 계수 (pKa): -1.62 · -1.62±0.40(Predicted)
EPA: 1 · 1,3,6-Naphthalenetrisulfonic acid, 8-amino- (117-42-0)

화학적 성질 · 1건

1-Aminonaphthalene-3,6,8-trisulfonic acid [117-42-0]. (8-aminonaphthalene-1,3,6- trisulfonic acid), Koch acid, T acid, C10H9NO9S3, Mr 383.36, and its alkali-metal salts are readily soluble in water. The solutions are unusual for this class of compound in that they exhibit no fluorescence. Hydrolysis with dilute sulfuric acid produces 1-hydroxynaphthalene-3,6,8-trisulfonic acid, whereas diazotization followed by acid hydrolysis results in formation of the corresponding sultone. Reduction with zinc and alkali desulfonates 1-Aminonaphthalene-3,6,8-trisulfonic acid to give 1-amino-naphthalene-3,6-disulfonic acid. Amination gives 1,3-diaminonaphthalene-6,8- disulfonic acid.

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca: TSCA listed

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.