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1267472-65-0 | Spiro[cyclohexane-1,4'(1'H)-isoquinoline], 2',3'-dihydro-7'-methyl-
CAS No: 1267472-65-0 Catalog No: AG000T64 MDL No:
Product Description
Catalog Number:
AG000T64
Chemical Name:
Spiro[cyclohexane-1,4'(1'H)-isoquinoline], 2',3'-dihydro-7'-methyl-
CAS Number:
1267472-65-0
Molecular Formula:
C15H21N
Molecular Weight:
215.3339
IUPAC Name:
7-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
InChI:
InChI=1S/C15H21N/c1-12-5-6-14-13(9-12)10-16-11-15(14)7-3-2-4-8-15/h5-6,9,16H,2-4,7-8,10-11H2,1H3
InChI Key:
PWXMASNNXYBWFR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CNCC12CCCCC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.34g/mol
Monoisotopic Mass:
215.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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