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89656-45-1 | 1H-Azepine, 1-[[(1,1-dimethylethyl)imino]methyl]hexahydro-2-propyl-
CAS No: 89656-45-1 Catalog No: AG0044XD MDL No:
Product Description
Catalog Number:
AG0044XD
Chemical Name:
1H-Azepine, 1-[[(1,1-dimethylethyl)imino]methyl]hexahydro-2-propyl-
CAS Number:
89656-45-1
Molecular Formula:
C14H28N2
Molecular Weight:
224.3855
IUPAC Name:
N-tert-butyl-1-(2-propylazepan-1-yl)methanimine
InChI:
InChI=1S/C14H28N2/c1-5-9-13-10-7-6-8-11-16(13)12-15-14(2,3)4/h12-13H,5-11H2,1-4H3
InChI Key:
ZPFUFRWNAZSLBI-UHFFFAOYSA-N
SMILES:
CCCC1CCCCCN1C=NC(C)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.392g/mol
Monoisotopic Mass:
224.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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