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159497-37-7 | 1H-Isoindole, 2,3-dihydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
CAS No: 159497-37-7 Catalog No: AG001R4E MDL No:
Product Description
Catalog Number:
AG001R4E
Chemical Name:
1H-Isoindole, 2,3-dihydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
CAS Number:
159497-37-7
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,3-dihydroisoindole
InChI:
InChI=1S/C14H20N2/c1-15-8-4-7-14(15)11-16-9-12-5-2-3-6-13(12)10-16/h2-3,5-6,14H,4,7-11H2,1H3/t14-/m0/s1
InChI Key:
MKFAAQPMZNXLET-AWEZNQCLSA-N
SMILES:
CN1CCC[C@H]1CN1Cc2c(C1)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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