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309260-13-7 | Cyclohexanamine, N-(3-phenyl-2-propyn-1-ylidene)-
CAS No: 309260-13-7 Catalog No: AG0031OL MDL No:
Product Description
Catalog Number:
AG0031OL
Chemical Name:
Cyclohexanamine, N-(3-phenyl-2-propyn-1-ylidene)-
CAS Number:
309260-13-7
Molecular Formula:
C15H17N
Molecular Weight:
211.3022
IUPAC Name:
N-cyclohexyl-3-phenylprop-2-yn-1-imine
InChI:
InChI=1S/C15H17N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1,3-4,8-9,13,15H,2,5-6,11-12H2
InChI Key:
BEDFTHIAFRJDPW-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)N=CC#Cc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.308g/mol
Monoisotopic Mass:
211.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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