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823228-21-3 | Benzenamine, 4-(3-decene-1,5-diynyl)-
CAS No: 823228-21-3 Catalog No: AG00546D MDL No:
Product Description
Catalog Number:
AG00546D
Chemical Name:
Benzenamine, 4-(3-decene-1,5-diynyl)-
CAS Number:
823228-21-3
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
4-dec-3-en-1,5-diynylaniline
InChI:
InChI=1S/C16H17N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h7-8,11-14H,2-4,17H2,1H3
InChI Key:
ZZYSSKNLRFYKOO-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1ccc(cc1)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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