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Propanedinitrile, [(dimethylamino)phenylmethylene]-
TL;DR: Propanedinitrile, [(dimethylamino)phenylmethylene]- (CAS 13724-10-2) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethylamino(phenyl)methylidene]propanedinitrile
Also Known As: dimethylamino-benzylidenemalononitrile, 2-[dimethylamino(phenyl)methylidene]propanedinitrile, Propanedinitrile, [(dimethylamino)phenylmethylene]-, J1.754.825E, [alpha-(Dimethylamino)benzylidene]malononitrile
| Molecular Formula | C12H11N3 |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.00646 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.09529 |
| Heavy Atoms | 15 |
| Complexity | 427.99585 |
Chemical Identifiers
| CAS Number | 13724-10-2 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C1=CC=CC=C1 |
Product Overview
Propanedinitrile, [(dimethylamino)phenylmethylene]- (CAS 13724-10-2), with molecular formula C12H11N3 and molecular weight 197.10 g/mol. IUPAC: 2-[dimethylamino(phenyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [(dimethylamino)phenylmethylene]-
Property Insights of Propanedinitrile, [(dimethylamino)phenylmethylene]-
The XLogP value of 2.00646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [(dimethylamino)phenylmethylene]-. With a topological polar surface area (TPSA) of 50.82 Ų, Propanedinitrile, [(dimethylamino)phenylmethylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, [(dimethylamino)phenylmethylene]- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanedinitrile, [(dimethylamino)phenylmethylene]-?
The CAS number of Propanedinitrile, [(dimethylamino)phenylmethylene]- is 13724-10-2.
What is the molecular formula of Propanedinitrile, [(dimethylamino)phenylmethylene]-?
The molecular formula of Propanedinitrile, [(dimethylamino)phenylmethylene]- is C12H11N3.
What is the molecular weight of Propanedinitrile, [(dimethylamino)phenylmethylene]-?
The molecular weight of Propanedinitrile, [(dimethylamino)phenylmethylene]- is 197.10 g/mol.
Where can I buy Propanedinitrile, [(dimethylamino)phenylmethylene]-?
You can request a quote for Propanedinitrile, [(dimethylamino)phenylmethylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [(dimethylamino)phenylmethylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [(dimethylamino)phenylmethylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.