4-Amino-N,N-dimethylbenzenesulfonamide 4-氨基-N,N-二甲基苯磺酰胺

CAS 1709-59-7 MFCD00031428

化学结构图

1709-59-7
SMILES: CN(C)S(=O)(=O)c1ccc(N)cc1

化学属性

Mol. FormulaC8
Mol. Weight200
Melting Point168-170°
TSCAYes

别名和识别编码

Chemical Name4-Amino-N,N-dimethylbenzenesulfonamide
CAS Number1709-59-7
Alfabeta NameAMINODIMETHYLBENZENESULFONAMIDE NN4---,
MDL NumberMFCD00031428
Synonym 4-AMINO-N,N-DIMETHYL-BENZENESULFONAMIDE 4-amino-N,N-dimethyl-benzenesulfonamide 4-amino-N,N-dimethylbenzenesulphonamide Benzenesulfonamide, 4-amino-N,N-dimethyl- {} {} {uni_hamburg}
EC Number216-970-5
Chemical Name Translation4-氨基-N,N-二甲基苯磺酰胺
PubChem Substance ID74369
InChIKeyBABGMPQXLCJMSK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00130323
InChIInChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
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分类

  • {KO} Sulphonamides
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {KO} Anilines
  • {SNA} Amines, Building Blocks, C8, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.

安全信息

Warnings IRRITANT
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xi Xn
WGK Germany3
GHS Symbol
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word Warning
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
1
LogP
2.761010000000000e-001

其他信息

  • MOL 文件:1709-59-7.mol

系列性分类

  1. C8 - Amines

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