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88381-97-9 | Benzenemethanamine, N-[1-(2-propenyl)hexyl]-
CAS No: 88381-97-9 Catalog No: AG004IM3 MDL No:
Product Description
Catalog Number:
AG004IM3
Chemical Name:
Benzenemethanamine, N-[1-(2-propenyl)hexyl]-
CAS Number:
88381-97-9
Molecular Formula:
C16H25N
Molecular Weight:
231.3764
IUPAC Name:
N-benzylnon-1-en-4-amine
InChI:
InChI=1S/C16H25N/c1-3-5-7-13-16(10-4-2)17-14-15-11-8-6-9-12-15/h4,6,8-9,11-12,16-17H,2-3,5,7,10,13-14H2,1H3
InChI Key:
JXZNZXPFSGLVEJ-UHFFFAOYSA-N
SMILES:
C=CCC(NCc1ccccc1)CCCCC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.383g/mol
Monoisotopic Mass:
231.199g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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