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(3aS,6aS)-1-methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole dihydrochloride

(3aS,6aS)-1-methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole dihydrochloride

CAS: 1417789-50-4

Formula: C7H16Cl2N2

SMILES: Cl[H].Cl[H].[H][C@@]12CCN(C)[C@]1([H])CNC2

IUPAC: (3aS,6aS)-1-methyl-octahydropyrrolo[2,3-c]pyrrole dihydrochloride

InChI: InChI=1S/C7H14N2.2ClH/c1-9-3-2-6-4-8-5-7(6)9;;/h6-8H,2-5H2,1H3;2*1H/t6-,7+;;/m1../s1

Composition: C (42.22%), H (8.10%), Cl (35.61%), N (14.07%)

Molar Mass: 199.12

Atom Count: 27

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 198.0690539
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RUMPYDQZJSJKTJ-AUCRBCQYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.96
Topological Polar Surface Area 15.27
Polarizability 15.23
Ring Count 2
Rotatable Bond Count 0

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