CAS 56765-79-8 | 4-Aminophthalonitrile | CAS Number 56765-79-8

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56765-79-8 | 4-Aminophthalonitrile

CAS No: 56765-79-8 Catalog No: AG00372E MDL No:MFCD00041741

Product Description

Catalog Number:

AG00372E

Chemical Name:

4-Aminophthalonitrile

CAS Number:

56765-79-8

Molecular Formula:

C8H5N3

Molecular Weight:

143.1454

MDL Number:

MFCD00041741

IUPAC Name:

4-aminobenzene-1,2-dicarbonitrile

InChI:

InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2

InChI Key:

RRCAJFYQXKPXOJ-UHFFFAOYSA-N

SMILES:

N#Cc1cc(N)ccc1C#N

EC Number:

260-370-6

NSC Number:

309814

Properties

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

143.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

143.149g/mol

Monoisotopic Mass:

143.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Synthesis and photophysical properties of tetra- and octasubstituted phosphorous oxide triazatetrabenzcorrole photosensitizers.	Metal-based drugs 20080101
1-((S)-gamma-substituted prolyl)-(S)-2-cyanopyrrolidine as a novel series of highly potent DPP-IV inhibitors.	Bioorganic & medicinal chemistry letters 20050516