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Home > Other Heterocycles > 116230-13-8
116230-13-8 | 2-Azabicyclo[2.2.1]hept-5-ene, 2-(1-methylethyl)-
CAS No: 116230-13-8 Catalog No: AG000C05 MDL No:
Product Description
Catalog Number:
AG000C05
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-ene, 2-(1-methylethyl)-
CAS Number:
116230-13-8
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
IUPAC Name:
2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C9H15N/c1-7(2)10-6-8-3-4-9(10)5-8/h3-4,7-9H,5-6H2,1-2H3
InChI Key:
YQNFXUHQSYVOTC-UHFFFAOYSA-N
SMILES:
CC(N1CC2CC1C=C2)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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