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Home > Other Heterocycles > 2044722-91-8
2044722-91-8 | 3,9-diazabicyclo[4.2.1]nonan-4-one hydrochloride
CAS No: 2044722-91-8 Catalog No: AG01BUTJ MDL No:MFCD30487485
Product Description
Catalog Number:
AG01BUTJ
Chemical Name:
3,9-diazabicyclo[4.2.1]nonan-4-one hydrochloride
CAS Number:
2044722-91-8
Molecular Formula:
C7H13ClN2O
Molecular Weight:
176.6439
MDL Number:
MFCD30487485
IUPAC Name:
3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
InChI:
InChI=1S/C7H12N2O.ClH/c10-7-3-5-1-2-6(9-5)4-8-7;/h5-6,9H,1-4H2,(H,8,10);1H
InChI Key:
WQLMUFICAWMJCT-UHFFFAOYSA-N
SMILES:
O=C1NCC2NC(C1)CC2.Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.644g/mol
Monoisotopic Mass:
176.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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