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1291486-23-1 | 2-(1-adamantyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 1291486-23-1 Catalog No: AG00JD7E MDL No:
Product Description
Catalog Number:
AG00JD7E
Chemical Name:
2-(1-adamantyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
1291486-23-1
Molecular Formula:
C19H25N
Molecular Weight:
267.4085
IUPAC Name:
2-(1-adamantyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C19H25N/c1-2-4-18-13-20(6-5-17(18)3-1)19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-13H2
InChI Key:
NZPHXWRBQKZAGV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CN(CC2)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.416g/mol
Monoisotopic Mass:
267.199g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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