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1849-80-5

1849-80-5 | 2-[6-(2,2-dicyanovinyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl phenylcarbamate

CAS No: 1849-80-5 Catalog No: AG007RTY MDL No:MFCD09705527

Product Description

Catalog Number:
AG007RTY
Chemical Name:
2-[6-(2,2-dicyanovinyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl phenylcarbamate
CAS Number:
1849-80-5
Molecular Formula:
C26H28N4O2
Molecular Weight:
428.5261
MDL Number:
MFCD09705527
IUPAC Name:
2-[4-(aminomethyl)phenoxy]-N,N-diethylethanamine
InChI:
InChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-13-7-5-12(11-14)6-8-13/h5-8H,3-4,9-11,14H2,1-2H3
InChI Key:
LFPUFCAIFUNCLI-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc2C(C)CC(N(c2cc1C)CCOC(=O)Nc1ccccc1)(C)C)C#N
NSC Number:
37854

Properties

Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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