Home Other Building Blocks 1,4,5-oxadiazepane hydrochloride

1,4,5-oxadiazepane hydrochloride

CAS No.:
329704-29-2
Catalog Number:
AG01C478
Molecular Formula:
C4H11ClN2O
Molecular Weight:
138.5959
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Product Description
Catalog Number:
AG01C478
Chemical Name:
1,4,5-oxadiazepane hydrochloride
CAS Number:
329704-29-2
Molecular Formula:
C4H11ClN2O
Molecular Weight:
138.5959
MDL Number:
MFCD28125612
IUPAC Name:
1,4,5-oxadiazepane;hydrochloride
InChI:
InChI=1S/C4H10N2O.ClH/c1-3-7-4-2-6-5-1;/h5-6H,1-4H2;1H
InChI Key:
WNQWIZFPRGIKFL-UHFFFAOYSA-N
SMILES:
C1CNNCCO1.Cl
Properties
Complexity:
43  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.056g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
138.595g/mol
Monoisotopic Mass:
138.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties