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84487-42-3 | Benzenamine, 2-(2-cyclopenten-1-yl)-N-ethyl-
CAS No: 84487-42-3 Catalog No: AG004VSV MDL No:
Product Description
Catalog Number:
AG004VSV
Chemical Name:
Benzenamine, 2-(2-cyclopenten-1-yl)-N-ethyl-
CAS Number:
84487-42-3
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-cyclopent-2-en-1-yl-N-ethylaniline
InChI:
InChI=1S/C13H17N/c1-2-14-13-10-6-5-9-12(13)11-7-3-4-8-11/h3,5-7,9-11,14H,2,4,8H2,1H3
InChI Key:
CQCZJEHHQOENPH-UHFFFAOYSA-N
SMILES:
CCNc1ccccc1C1C=CCC1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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