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114506-96-6 | 2-Cyclohexen-1-amine, 3-phenyl-
CAS No: 114506-96-6 Catalog No: AG000ELF MDL No:
Product Description
Catalog Number:
AG000ELF
Chemical Name:
2-Cyclohexen-1-amine, 3-phenyl-
CAS Number:
114506-96-6
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
3-phenylcyclohex-2-en-1-amine
InChI:
InChI=1S/C12H15N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8,13H2
InChI Key:
OVKIGIXAXHNAGI-UHFFFAOYSA-N
SMILES:
NC1CCCC(=C1)c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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