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4562-80-5 | 2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-isoquinoline]
CAS No: 4562-80-5 Catalog No: AG00DZSE MDL No:MFCD08444672
Product Description
Catalog Number:
AG00DZSE
Chemical Name:
2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-isoquinoline]
CAS Number:
4562-80-5
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
MDL Number:
MFCD08444672
IUPAC Name:
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
InChI:
InChI=1S/C14H19N/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14/h2-3,6-7,15H,1,4-5,8-11H2
InChI Key:
YNIHJHIQMUFKJW-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)CNCc1c2cccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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