SDF/Mol File of N-[4-(aminomethyl)phenyl]cinnolin-4-amine (C15H14N4)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-[4-(aminomethyl)phenyl]cinnolin-4-amine Molecule

• Chemical structure of N-[4-(aminomethyl)phenyl]cinnolin-4-amine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[4-(aminomethyl)phenyl]cinnolin-4-amine is available in chemical structure page of N-[4-(aminomethyl)phenyl]cinnolin-4-amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of N-[4-(aminomethyl)phenyl]cinnolin-4-amine

  The molecular weight of N-[4-(aminomethyl)phenyl]cinnolin-4-amine is available in molecular weight page of N-[4-(aminomethyl)phenyl]cinnolin-4-amine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of N-[4-(aminomethyl)phenyl]cinnolin-4-amine

  The chemical formula of N-[4-(aminomethyl)phenyl]cinnolin-4-amine is given in chemical formula page of N-[4-(aminomethyl)phenyl]cinnolin-4-amine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of N-[4-(aminomethyl)phenyl]cinnolin-4-amine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[4-(aminomethyl)phenyl]cinnolin-4-amine is:

  InChI=1S/C15H14N4/c16-9-11-5-7-12(8-6-11)18-15-10-17-19-14-4-2-1-3-13(14)15/h1-8,10H,9,16H2,(H,18,19)

  It can provide a standard way to encode the molecular information of N-[4-(aminomethyl)phenyl]cinnolin-4-amine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-[4-(aminomethyl)phenyl]cinnolin-4-amine is:

  InChIKey=AZMLCJJFTZPVHD-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-[4-(aminomethyl)phenyl]cinnolin-4-amine, but it needs to be linked to the full InChI to get back to the original structure of the N-[4-(aminomethyl)phenyl]cinnolin-4-amine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-[4-(aminomethyl)phenyl]cinnolin-4-amine

  The N-[4-(aminomethyl)phenyl]cinnolin-4-amine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[4-(aminomethyl)phenyl]cinnolin-4-amine including the registry numbers are listed below, if available:

  
  
  None available.

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N-[4-(aminomethyl)phenyl]cinnolin-4-amine Identification Summary Frequently Asked Questions (FAQs)

What’s the N-[4-(aminomethyl)phenyl]cinnolin-4-amine formula?
C15H14N4
How many atoms and what elements are included in the N-[4-(aminomethyl)phenyl]cinnolin-4-amine molecule?
33 atom(s) - 14 Hydrogen atom(s), 15 Carbon atom(s), and 4 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the N-[4-(aminomethyl)phenyl]cinnolin-4-amine structure?
35 bond(s) - 21 non-H bond(s), 17 multiple bond(s), 3 rotatable bond(s), 17 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 primary amine(s) (aliphatic), 1 secondary amine(s) (aromatic), and 1 Pyridazine(s)
What’s the N-[4-(aminomethyl)phenyl]cinnolin-4-amine’s molar mass?
250.29846 g/mol
What’s the SMILES structure of N-[4-(aminomethyl)phenyl]cinnolin-4-amine?
NCc3ccc(Nc1cnnc2ccccc12)cc3
What’s the InChI code of N-[4-(aminomethyl)phenyl]cinnolin-4-amine?
InChI=1S/C15H14N4/c16-9-11-5-7-12(8-6-11)18-15-10-17-19-14-4-2-1-3-13(14)15/h1-8,10H,9,16H2,(H,18,19)
What’s the InChIKey format of N-[4-(aminomethyl)phenyl]cinnolin-4-amine?
AZMLCJJFTZPVHD-UHFFFAOYSA-N

18 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).