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116491-52-2 | Benzenamine, 2-(3-methyl-1-nonyn-1-yl)-
CAS No: 116491-52-2 Catalog No: AG000CMW MDL No:
Product Description
Catalog Number:
AG000CMW
Chemical Name:
Benzenamine, 2-(3-methyl-1-nonyn-1-yl)-
CAS Number:
116491-52-2
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
2-(3-methylnon-1-ynyl)aniline
InChI:
InChI=1S/C16H23N/c1-3-4-5-6-9-14(2)12-13-15-10-7-8-11-16(15)17/h7-8,10-11,14H,3-6,9,17H2,1-2H3
InChI Key:
ACADKDXRQNQUOL-UHFFFAOYSA-N
SMILES:
CCCCCCC(C#Cc1ccccc1N)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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