Home Other Building Blocks 4-methyl-1,4-diazepan-5-one dihydrochloride

4-methyl-1,4-diazepan-5-one dihydrochloride

CAS No.:
1955530-16-1
Catalog Number:
AG01B5Q8
Molecular Formula:
C6H14Cl2N2O
Molecular Weight:
201.0942
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Product Description
Catalog Number:
AG01B5Q8
Chemical Name:
4-methyl-1,4-diazepan-5-one dihydrochloride
CAS Number:
1955530-16-1
Molecular Formula:
C6H14Cl2N2O
Molecular Weight:
201.0942
MDL Number:
MFCD30181199
IUPAC Name:
4-methyl-1,4-diazepan-5-one;dihydrochloride
InChI:
InChI=1S/C6H12N2O.2ClH/c1-8-5-4-7-3-2-6(8)9;;/h7H,2-5H2,1H3;2*1H
InChI Key:
SPLWEOYYFSUUKE-UHFFFAOYSA-N
SMILES:
CN1CCNCCC1=O.Cl.Cl
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.091g/mol
Monoisotopic Mass:
200.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties