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159497-36-6 | Isoquinoline, 1,2,3,4-tetrahydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
CAS No: 159497-36-6 Catalog No: AG001R4F MDL No:
Product Description
Catalog Number:
AG001R4F
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
CAS Number:
159497-36-6
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
IUPAC Name:
2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C15H22N2/c1-16-9-4-7-15(16)12-17-10-8-13-5-2-3-6-14(13)11-17/h2-3,5-6,15H,4,7-12H2,1H3/t15-/m0/s1
InChI Key:
UFRIEVVMSCERPQ-HNNXBMFYSA-N
SMILES:
CN1CCC[C@H]1CN1CCc2c(C1)cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.355g/mol
Monoisotopic Mass:
230.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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