CID 70467807
PubChem CID
70467807
Structure
Molecular Formula
Status
Non-live
Molecular Weight
445.4 g/mol
Dates
- Create:2012-12-01
Chemical Structure Depiction
N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride
InChI=1S/2C12H14N2.2ClH/c2*13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h2*1-7,14H,8-9,13H2;2*1H
NMNYAYCMVPTPPK-UHFFFAOYSA-N
Isomeric SMILES
C1=CC=C2C(=C1)C=CC=C2NCCN.C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl
C24H30Cl2N4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
445.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
6
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
444.1847524 g/mol
Property Name
Monoisotopic Mass
Property Value
444.1847524 g/mol
Property Name
Topological Polar Surface Area
Property Value
76.1A^2
Property Name
Heavy Atom Count
Property Value
30
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
4
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS