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Home > Other Heterocycles > 1380680-52-3
1380680-52-3 | 1-(2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone hydrochloride, Mixture of diastereomers
CAS No: 1380680-52-3 Catalog No: AG01EJ1H MDL No:
Product Description
Catalog Number:
AG01EJ1H
Chemical Name:
1-(2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone hydrochloride, Mixture of diastereomers
CAS Number:
1380680-52-3
Molecular Formula:
C7H13ClN2O
Molecular Weight:
176.6439
IUPAC Name:
1-(2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;hydrochloride
InChI:
InChI=1S/C7H12N2O.ClH/c1-5(10)9-4-6-2-7(9)3-8-6;/h6-8H,2-4H2,1H3;1H
InChI Key:
UMRRKGGLUTWXFI-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC2CC1CN2.Cl
Properties
Complexity:
169
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.644g/mol
Monoisotopic Mass:
176.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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