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102294-01-9 | Benzenemethanamine, N-[6-(2-propyn-1-yloxy)hexyl]-
CAS No: 102294-01-9 Catalog No: AG000757 MDL No:
Product Description
Catalog Number:
AG000757
Chemical Name:
Benzenemethanamine, N-[6-(2-propyn-1-yloxy)hexyl]-
CAS Number:
102294-01-9
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
IUPAC Name:
N-benzyl-6-prop-2-ynoxyhexan-1-amine
InChI:
InChI=1S/C16H23NO/c1-2-13-18-14-9-4-3-8-12-17-15-16-10-6-5-7-11-16/h1,5-7,10-11,17H,3-4,8-9,12-15H2
InChI Key:
GLZZJTBRGKAUFT-UHFFFAOYSA-N
SMILES:
C#CCOCCCCCCNCc1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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