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86755-80-8 | "2-benzyl-5-methyloctahydropyrrolo[3,4-c]pyrrole"
CAS No: 86755-80-8 Catalog No: AG01FMSK MDL No:MFCD20484975
Product Description
Catalog Number:
AG01FMSK
Chemical Name:
"2-benzyl-5-methyloctahydropyrrolo[3,4-c]pyrrole"
CAS Number:
86755-80-8
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
MDL Number:
MFCD20484975
IUPAC Name:
5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
InChI:
InChI=1S/C14H20N2/c1-15-8-13-10-16(11-14(13)9-15)7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChI Key:
TWPUPYDZIUZHII-UHFFFAOYSA-N
SMILES:
CN1CC2C(C1)CN(C2)Cc1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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