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: 49
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
tyramine
ScientificNameLabel
tyramine
PHCD compound ID :
2045
Chemical Names :
tyramine
Molecular Formula :
C8H11N1O1
Molecular Weight :
137.084064
More Details :
Names & Synonyms:
4-(2-aminoethyl)phenol , 4-(2-azanylethyl)phenol
Smiles:
NCCc1ccc(cc1)O
InChi :
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChi Key :
InChIKey=DZGWFCGJZKJUFP-UHFFFAOYSA-N
PubChem ID :
5610
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
8.978747
Hydrogen bond donor count :
2
Electric dipole moment :
2.162
XLogP :
-0.03
VDW volume :
135.545488
Molecular weight :
137.084064
HOMO-LUMO gap :
8.964000
Herb list :
Camel thorn - Alhagi pseudalhagi - خارشتر، شبه خارشتر
Refrences & Litretures:
243. Journal:'Phytother. Res' Year:'2015' Volume:'29' Page:'1' DOI:'10.1002/ptr.5222' Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us