CID 53414742
PubChem CID
53414742
Structure
Molecular Formula
Status
Non-live
Molecular Weight
221.73 g/mol
Dates
- Create:2011-10-30
Chemical Structure Depiction
4-[2-(dimethylamino)ethyl]-1,4-diazepan-5-one;hydrochloride
InChI=1S/C9H19N3O.ClH/c1-11(2)7-8-12-6-5-10-4-3-9(12)13;/h10H,3-8H2,1-2H3;1H
OIVUOSWBIKQXDD-UHFFFAOYSA-N
CN(C)CCN1CCNCCC1=O.Cl
C9H20ClN3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
221.73 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
221.1294900 g/mol
Property Name
Monoisotopic Mass
Property Value
221.1294900 g/mol
Property Name
Topological Polar Surface Area
Property Value
35.6 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
170
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS