1-나프틸아민-4,6,8-트리술폰산

8-Aminonaphthalene-1,3,5-trisulfonic acid

HCID 87355CAS 17894-99-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12
InChIKey: RQVVDWMOCSOAJS-UHFFFAOYSA-N
분자식: C10H9NO9S3
평균 분자량: 383.4 g/mol
단동위원소 질량: 382.94394387

이름 및 식별자

우선 이름: 8-Aminonaphthalene-1,3,5-trisulfonic acid
IUPAC: 8-aminonaphthalene-1,3,5-trisulfonic acid
현지명: 1-나프틸아민-4,6,8-트리술폰산
영어명: 1-Naphthylamine-4,6,8-trisulfonic acid
분자식: C10H9NO9S3
분자량: 383.37

이름 및 동의어

8-aminonaphthalene-1,3,5-trisulfonic acid17894-99-48-amino-1,3,5-naphthalenetrisulfonic acid8-Aminonaphthalene-1,3,5-trisulphonic acid1,3,5-Naphthalenetrisulfonic acid, 8-amino-EINECS 241-837-3SCHEMBL229199SCHEMBL8508622SCHEMBL30901433DTXSID201706181-Naphthylamin-4,6,8-trisulfosaureMFCD00035848

이름 더 보기

1-나프틸아민-4,6,8-트리술폰산1-NAPHTHYLAMINE-4,6,8-TRISULFONIC ACID8-aminonaphthalene-1,3,5-trisulfonicaci8-azanylnaphthalene-1,3,5-trisulfonic acid8-AMINO-NAPHTHALENE-1,3,5-TRISULFONIC ACID

AKOS015960656H7785R978N8-aminonaphthalene-1,3,5-trisulfonicacidAC-11886SY254105CS-0145918NS00025895

데이터베이스 식별자

CAS: 17894-99-4
PubChem CID: 87355
DTXSID: DTXSID20170618
UNII: H7785R978N
EC Number: 241-837-3
Nikkaji: J173.263C

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±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.75 · -1.75±0.40(Predicted)
InChI: InChI=1S/C10H9NO9S3/c11-7-1-2-8(22(15,16)17)6-3-5(21(12,13)14)4-9(10(6)7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChIKey: RQVVDWMOCSOAJS-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2N)=CC(S(O)(=O)=O)=C1

화학적 성질 · 1건

1-Aminonaphthalene-4,6,8-trisulfonic acid [17894-99-4]. (8-aminonaphthalene1,3,5-trisulfonic acid), B acid, C10H9NO9S3, Mr 383.36, is reduced with zinc and alkali to 1- aminonaphthalene-4,6-disulfonic acid. Heating with aqueous sulfuric acid causes desulfonation to form 1-aminonaphthalene-6,8-disulfonic acid. Sulfonation (25 % oleum, 90℃) gives the sultam of 1-aminonaphthalene-2,4,6,8-tetrasulfonic acid.