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96409-31-3 | Isoquinoline, 1,2,3,4-tetrahydro-2-tetradecyl-
CAS No: 96409-31-3 Catalog No: AG0067R2 MDL No:
Product Description
Catalog Number:
AG0067R2
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-tetradecyl-
CAS Number:
96409-31-3
Molecular Formula:
C23H39N
Molecular Weight:
329.5625
IUPAC Name:
2-tetradecyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C23H39N/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-24-20-18-22-16-13-14-17-23(22)21-24/h13-14,16-17H,2-12,15,18-21H2,1H3
InChI Key:
JSRKNMPJKCMOKD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCN1CCc2c(C1)cccc2
NSC Number:
32401
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.308g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.572g/mol
Monoisotopic Mass:
329.308g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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