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Home > Other Heterocycles > 1820571-96-7
1820571-96-7 | rac-(1S,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one dihydrochloride
CAS No: 1820571-96-7 Catalog No: AG00J2OD MDL No:MFCD22666530
Product Description
Catalog Number:
AG00J2OD
Chemical Name:
rac-(1S,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one dihydrochloride
CAS Number:
1820571-96-7
Molecular Formula:
C9H18Cl2N2O
Molecular Weight:
241.1580
MDL Number:
MFCD22666530
IUPAC Name:
(1S,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one;dihydrochloride
InChI:
InChI=1S/C9H16N2O.2ClH/c1-11-8-4-2-3-7(9(11)12)5-10-6-8;;/h7-8,10H,2-6H2,1H3;2*1H/t7-,8+;;/m1../s1
InChI Key:
LVOANLBNQXSQJL-YUZCMTBUSA-N
SMILES:
CN1[C@H]2CCC[C@@H](C1=O)CNC2.Cl.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.156g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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