n-Methyl-3-nitropyridin-2-amine N-甲基-3-硝基吡啶-2-胺

CAS 4093-88-3 MFCD00223335

化学结构图

4093-88-3
SMILES: CNc1ncccc1[N+](=O)[O-]

化学属性

Mol. FormulaC6H7N3O2
Mol. Weight153.13868
Melting Point67-69 °C
Boiling Point262-262.5 °C at 740 mmHg

别名和识别编码

Chemical Namen-Methyl-3-nitropyridin-2-amine
CAS Number4093-88-3
Alfabeta NameMETHYLNITROPYRIDINAMINE N32-----
MDL NumberMFCD00223335
Synonym N-methyl-3-nitropyridin-2-amine {LY} N-methyl-3-nitropyridin-2-amine {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-methyl-3-nitropyridin-2
Chemical Name TranslationN-甲基-3-硝基吡啶-2-胺
LabNetwork Molecule IDLN00135444
PubChem Substance ID556349
InChIInChI=1S/C6H7N3O2/c1-7-6-5(9(10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)
Canonical SMILES[O-][N+](C1=CC=CN=C1NC)=O
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {KO} Nitros
  • {KO} AminesSecondaryHeteroNH

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Warnings IRRITANT
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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 Donors
1
H-bond Acceptors
3
Rotatable Bonds
1
LogP
8.175000000000000e-001

系列性分类

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