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124499-31-6 | Benzeneethanamine, 4-(2-cyclohexylethyl)-
CAS No: 124499-31-6 Catalog No: AG000M3W MDL No:MFCD04114546
Product Description
Catalog Number:
AG000M3W
Chemical Name:
Benzeneethanamine, 4-(2-cyclohexylethyl)-
CAS Number:
124499-31-6
Molecular Formula:
C16H25N
Molecular Weight:
231.3764
MDL Number:
MFCD04114546
IUPAC Name:
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
InChI:
InChI=1S/C16H25N/c17-13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14H,1-7,12-13,17H2
InChI Key:
IFWGVWBAKRWCQH-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)CCC1CCCCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.383g/mol
Monoisotopic Mass:
231.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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