CID 28414404
PubChem CID
28414404
Structure
Molecular Formula
Status
Non-live
Molecular Weight
181.21 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[amino-[4-(2-hydroxyethoxy)phenyl]methylidene]azanium
InChI=1S/C9H12N2O2/c10-9(11)7-1-3-8(4-2-7)13-6-5-12/h1-4,12H,5-6H2,(H3,10,11)/p+1
DMZSJJZGBLDSNL-UHFFFAOYSA-O
C1=CC(=CC=C1C(=[NH2+])N)OCCO
C9H13N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
181.21 g/mol
Property Name
XLogP3
Property Value
0.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
181.097702662 g/mol
Property Name
Monoisotopic Mass
Property Value
181.097702662 g/mol
Property Name
Topological Polar Surface Area
Property Value
81.1 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
159
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS