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78706-97-5 | 2-hexyl-2,3-dihydro-1h-perimidine
CAS No: 78706-97-5 Catalog No: AG005JWO MDL No:
Product Description
Catalog Number:
AG005JWO
Chemical Name:
2-hexyl-2,3-dihydro-1h-perimidine
CAS Number:
78706-97-5
Molecular Formula:
C17H22N2
Molecular Weight:
254.3700
IUPAC Name:
2-hexyl-2,3-dihydro-1H-perimidine
InChI:
InChI=1S/C17H22N2/c1-2-3-4-5-12-16-18-14-10-6-8-13-9-7-11-15(19-16)17(13)14/h6-11,16,18-19H,2-5,12H2,1H3
InChI Key:
ZWJUCBQPXPZYAH-UHFFFAOYSA-N
SMILES:
CCCCCCC1Nc2cccc3c2c(N1)ccc3
NSC Number:
90965
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.377g/mol
Monoisotopic Mass:
254.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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