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2-Nitro-1-amino(5,6,7,8-tetrahydro)naphthalene
PHCD compound ID : 4134
Chemical Names :
2-Nitro-1-amino(5,6,7,8-tetrahydro)naphthalene
Molecular Formula : C10H12N2O2
Molecular Weight : 192.089878
More Details :
Names & Synonyms: 6-nitrotetralin-5-amine , 2-nitro-5,6,7,8-tetrahydronaphthalen-1-amine , (6-nitrotetralin-5-yl)amine
Smiles: [O-][N+](=O)c1ccc2c(c1N)CCCC2
InChi : InChI=1S/C10H12N2O2/c11-10-8-4-2-1-3-7(8)5-6-9(10)12(13)14/h5-6H,1-4,11H2
InChi Key : InChIKey=ZJEQNBOTNDJVNE-UHFFFAOYSA-N
PubChem ID : 605978
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.930105
Hydrogen bond donor count : 1 Electric dipole moment : 6.413
XLogP : 2.56 VDW volume : 174.931527
Molecular weight : 192.089878 HOMO-LUMO gap : 8.122000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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