Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 5
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
4-Bromo-1-Naphyhalenamine
ScientificNameLabel
4-Bromo-1-Naphyhalenamine
PHCD compound ID :
1808
Chemical Names :
4-Bromo-1-Naphyhalenamine , 4-Bromo-1-naphthalenamine , 1-Naphthalenamine,4-boromo
Molecular Formula :
C10H8Br1N1
Molecular Weight :
220.984011
More Details :
Names & Synonyms:
4-bromonaphthalen-1-amine , 4-bromo-1-naphthalenamine , 4-bromanylnaphthalen-1-amine , (4-bromo-1-naphthyl)amine
Smiles:
Brc1ccc(c2c1cccc2)N
InChi :
InChI=1S/C10H8BrN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChi Key :
InChIKey=LIUKLAQDPKYBCP-UHFFFAOYSA-N
PubChem ID :
75303
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.186008
Hydrogen bond donor count :
1
Electric dipole moment :
4.202
XLogP :
1.797
VDW volume :
152.101473
Molecular weight :
220.984011
HOMO-LUMO gap :
7.584000
Herb list :
Betony - Stachys lavandulifolia Vahl - چای کوهی، سنبله ای زیبا
Chaste tree , Vitex - Vitex agnus-castus - پنج انگشت، فلفل بری
Refrences & Litretures:
204. Journal:'Journal of Essential Oil Bearing Plants' Year:'2015' Volume:'18' Page:'208' DOI:'10.1080/0972060X.2014.976665' Title:'Evaluation of Chemical Composition and Antimicrobial Activity of Vitex agnus castus L. Fruits’ Essential Oils from West Anatolia, Turkey'
282. Journal:'Intl J Farm & Alli Sci' Year:'2015' Volume:'4' Page:'197' DOI:'' Title:'Study of chemical composition and antibacterial effects of essential oils of Stachys lavandulifolia Vahl., Salvia verticillata L., and Tanacetum polycephalum Schultz-Bip. on some microbial lineages'
285. Journal:'Journal of Herbal Drugs' Year:'2013' Volume:'4' Page:'137' DOI:'' Title:'Phytochemical of essential oil of Stachys lavandulifolia Vahl. collected from a natural habitat in western Isfahan, Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us