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1270668-46-6 | 2-(pyrrolidine-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CAS No: 1270668-46-6 Catalog No: AG01ADUC MDL No:MFCD12839201
Product Description
Catalog Number:
AG01ADUC
Chemical Name:
2-(pyrrolidine-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CAS Number:
1270668-46-6
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD12839201
IUPAC Name:
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
InChI:
InChI=1S/C14H18N2O2/c17-12-4-3-10-5-7-16(9-11(10)8-12)14(18)13-2-1-6-15-13/h3-4,8,13,15,17H,1-2,5-7,9H2
InChI Key:
KEANJZSYMOYLBE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CN(CC2)C(=O)C1CCCN1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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