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1220017-74-2 | 2-(pyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline dihydrochloride
CAS No: 1220017-74-2 Catalog No: AG018NPG MDL No:MFCD13561602
Product Description
Catalog Number:
AG018NPG
Chemical Name:
2-(pyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline dihydrochloride
CAS Number:
1220017-74-2
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
MDL Number:
MFCD13561602
IUPAC Name:
2-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline;dihydrochloride
InChI:
InChI=1S/C13H18N2.2ClH/c1-2-4-12-10-15(8-6-11(12)3-1)13-5-7-14-9-13;;/h1-4,13-14H,5-10H2;2*1H
InChI Key:
GYKMHUVZFFXNHN-UHFFFAOYSA-N
SMILES:
C1NCC(C1)N1CCc2c(C1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.217g/mol
Monoisotopic Mass:
274.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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