CID 21320482
PubChem CID
21320482
Structure
Molecular Formula
Status
Non-live
Molecular Weight
307.34 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
(E)-but-2-enedioic acid;2-(piperazin-1-ylmethyl)aniline
InChI=1S/C11H17N3.C4H4O4/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;5-3(6)1-2-4(7)8/h1-4,13H,5-9,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
QVEHZDHXSCESCB-WLHGVMLRSA-N
C1CN(CCN1)CC2=CC=CC=C2N.C(=C/C(=O)O)\C(=O)O
C15H21N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
307.34 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
307.15320616 g/mol
Property Name
Monoisotopic Mass
Property Value
307.15320616 g/mol
Property Name
Topological Polar Surface Area
Property Value
116 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
285
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
1
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
CONTENTS