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102295-04-5 | Benzenemethanamine, N-[6-(3-butyn-1-yloxy)hexyl]-
CAS No: 102295-04-5 Catalog No: AG000753 MDL No:
Product Description
Catalog Number:
AG000753
Chemical Name:
Benzenemethanamine, N-[6-(3-butyn-1-yloxy)hexyl]-
CAS Number:
102295-04-5
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
IUPAC Name:
N-benzyl-6-but-3-ynoxyhexan-1-amine
InChI:
InChI=1S/C17H25NO/c1-2-3-14-19-15-10-5-4-9-13-18-16-17-11-7-6-8-12-17/h1,6-8,11-12,18H,3-5,9-10,13-16H2
InChI Key:
QIQDCZAWYRKEIK-UHFFFAOYSA-N
SMILES:
C#CCCOCCCCCCNCc1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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