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Compound: 5546
Plants: 312
References: 992
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N-methyltyramine
ScientificNameLabel
N-methyltyramine
PHCD compound ID :
2549
Chemical Names :
N-methyltyramine
Molecular Formula :
C9H13N1O1
Molecular Weight :
151.099714
More Details :
Names & Synonyms:
4-[2-(methylamino)ethyl]phenol
Smiles:
CNCCc1ccc(cc1)O
InChi :
InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
InChi Key :
InChIKey=AXVZFRBSCNEKPQ-UHFFFAOYSA-N
PubChem ID :
9727
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.002908
Hydrogen bond donor count :
2
Electric dipole moment :
0.989
XLogP :
0.36
VDW volume :
152.841472
Molecular weight :
151.099714
HOMO-LUMO gap :
9.060000
Herb list :
Camel thorn - Alhagi pseudalhagi - خارشتر، شبه خارشتر
Refrences & Litretures:
294. Journal:'International Journal of Herbal Medicine' Year:'2014' Volume:'2' Page:'47' DOI:'' Title:'Alhagi pseudalhagi: a review of its phyto-chemistry, pharmacology, folklore claims and Ayurvedic studies'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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