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188829-29-0 | Benzenehexanamine, 4-butyl-N-hydroxy-
CAS No: 188829-29-0 Catalog No: AG002HD5 MDL No:
Product Description
Catalog Number:
AG002HD5
Chemical Name:
Benzenehexanamine, 4-butyl-N-hydroxy-
CAS Number:
188829-29-0
Molecular Formula:
C16H27NO
Molecular Weight:
249.3917
IUPAC Name:
N-[6-(4-butylphenyl)hexyl]hydroxylamine
InChI:
InChI=1S/C16H27NO/c1-2-3-8-15-10-12-16(13-11-15)9-6-4-5-7-14-17-18/h10-13,17-18H,2-9,14H2,1H3
InChI Key:
KMRREVLIJXTRPF-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)CCCCCCNO
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.398g/mol
Monoisotopic Mass:
249.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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