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89241-31-6 | Benzeneethanamine, N-cycloheptylidene-
CAS No: 89241-31-6 Catalog No: AG00449D MDL No:
Product Description
Catalog Number:
AG00449D
Chemical Name:
Benzeneethanamine, N-cycloheptylidene-
CAS Number:
89241-31-6
Molecular Formula:
C15H21N
Molecular Weight:
215.3339
IUPAC Name:
N-(2-phenylethyl)cycloheptanimine
InChI:
InChI=1S/C15H21N/c1-2-7-11-15(10-6-1)16-13-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
InChI Key:
VRBLYLQIKPZFDL-UHFFFAOYSA-N
SMILES:
C1CCCCC(=NCCc2ccccc2)C1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.34g/mol
Monoisotopic Mass:
215.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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