4-아미노-N,N-디메틸-벤젠술폰아미드

Benzenesulfonamide, 4-amino-N,N-dimethyl-

HCID 74369CAS 1709-59-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)S(=O)(=O)c1ccc(N)cc1
InChIKey: BABGMPQXLCJMSK-UHFFFAOYSA-N
분자식: C8H12N2O2S
평균 분자량: 200.26 g/mol
단동위원소 질량: 200.06194862

이름 및 식별자

우선 이름: Benzenesulfonamide, 4-amino-N,N-dimethyl-
IUPAC: 4-amino-N,N-dimethylbenzenesulfonamide
현지명: 4-아미노-N,N-디메틸-벤젠술폰아미드
영어명: 4-Amino-N,N-dimethyl-benzenesulfonamide
분자식: C8H12N2O2S
분자량: 200.26

이름 및 동의어

4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7N,N-DimethylsulfanilamideBenzenesulfonamide, 4-amino-N,N-dimethyl-N1,N1-DimethylsulfanilamideN',N'-DimethylsulfonamideN(1)-Dimethylsulfanilamidep-(Dimethylsulfamoyl)anilinep-Amino-N,N-dimethylbenzenesulfonamideEINECS 216-970-5NSC 110777Sulfanilamide, N(1),N(1)-dimethyl-

이름 더 보기

4-아미노-N,N-디메틸-벤젠술폰아미드AKOS BBB/031AKOS BBS-00000284BUTTPARK 34\07-94IFLAB-BB F1591-0314OTAVA-BB BB7216850059N',N'-Dimethylsulfanilamide

DTXSID5061902RefChem:117724DTXCID80354714-Amino-N,N-dimethyl-benzenesulfonamideMFCD000314284-Amino-N,N-dimethylbenzenesulphonamide4-amino-N,N-dimethylbenzene-1-sulfonamideN1-dimethylsulfanilamide

데이터베이스 식별자

CAS: 1709-59-7
PubChem CID: 74369
DTXSID: DTXSID5061902
ChEMBL: CHEMBL139593
EC Number: 216-970-5
Nikkaji: J203.097G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 248

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.67

물리화학적 성질

녹는점: 170 · 170-172°C
끓는 점: 352.9 · 352.9±44.0 °C(Predicted)
밀도: 1.2581 · 1.2581 (rough estimate)
굴절률: 1.569 · 1.5690 (estimate)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 2.11 · pKa 2.11(H2O t = 25 I = 0.05) (Uncertain)
물리적 상태: solid
수용성: 626.8 mg/L · 626.8mg/L(37℃)
InChI: 1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey: BABGMPQXLCJMSK-UHFFFAOYSA-N
SMILES: CN(C)S(=O)(=O)c1ccc(N)cc1
EPA: 4 · Benzenesulfonamide, 4-amino-N,N-dimethyl- (1709-59-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.