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1027595-67-0 | 3-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1027595-67-0 Catalog No: AG01AGXW MDL No:MFCD12114499
Product Description
Catalog Number:
AG01AGXW
Chemical Name:
3-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1027595-67-0
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD12114499
IUPAC Name:
3-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H13N3/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12/h1-6,11,15H,7-8H2,(H,13,14)
InChI Key:
LVXGKCQDNDGCPP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC(NC2)c1ncc[nH]1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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