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128740-12-5 | Pyrrolo[3,4-b]pyrrole, octahydro-5-(phenylmethyl)-
CAS No: 128740-12-5 Catalog No: AG000YC9 MDL No:
Product Description
Catalog Number:
AG000YC9
Chemical Name:
Pyrrolo[3,4-b]pyrrole, octahydro-5-(phenylmethyl)-
CAS Number:
128740-12-5
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
IUPAC Name:
5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
InChI:
InChI=1S/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-7-14-13(12)10-15/h1-5,12-14H,6-10H2
InChI Key:
HSZHVFDKBROTBA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2C(C1)CCN2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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