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823228-22-4 | Benzenemethanamine, 3-(3-decene-1,5-diynyl)-
CAS No: 823228-22-4 Catalog No: AG005E1D MDL No:
Product Description
Catalog Number:
AG005E1D
Chemical Name:
Benzenemethanamine, 3-(3-decene-1,5-diynyl)-
CAS Number:
823228-22-4
Molecular Formula:
C17H19N
Molecular Weight:
237.3395
IUPAC Name:
(3-dec-3-en-1,5-diynylphenyl)methanamine
InChI:
InChI=1S/C17H19N/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17(14-16)15-18/h7-8,10,12-14H,2-4,15,18H2,1H3
InChI Key:
RXYPGFSZAOKFGF-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1cccc(c1)CN
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.346g/mol
Monoisotopic Mass:
237.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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