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87505-29-1 | N-(1-PHENYLETHYL)-1,5-OXAZOCAN-5-AMINE
CAS No: 87505-29-1 Catalog No: AG004I11 MDL No:
Product Description
Catalog Number:
AG004I11
Chemical Name:
N-(1-PHENYLETHYL)-1,5-OXAZOCAN-5-AMINE
CAS Number:
87505-29-1
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
N-(1-phenylethyl)-1,5-oxazocan-5-amine
InChI:
InChI=1S/C14H22N2O/c1-13(14-7-3-2-4-8-14)15-16-9-5-11-17-12-6-10-16/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChI Key:
OYLUZRMANCEOHW-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)NN1CCCOCCC1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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