2-Propenenitrile, 2-amino-3-(phenylamino)-
TL;DR: 2-Propenenitrile, 2-amino-3-(phenylamino)- (CAS 468747-47-9) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-anilinoprop-2-enenitrile
Also Known As: 2-amino-3-anilinoprop-2-enenitrile, 2-amino-3-anilino-prop-2-enenitrile, 2-PROPENENITRILE, 2-AMINO-3-(PHENYLAMINO)-, 2-Propenenitrile, 2-amino-3-(phenylamino)- (9CI)
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.42218 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 308.29556 |
Chemical Identifiers
| CAS Number | 468747-47-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C#N)N |
Product Overview
2-Propenenitrile, 2-amino-3-(phenylamino)- (CAS 468747-47-9), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 2-amino-3-anilinoprop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 2-amino-3-(phenylamino)-
Property Insights of 2-Propenenitrile, 2-amino-3-(phenylamino)-
The XLogP value of 1.42218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 2-amino-3-(phenylamino)-. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenenitrile, 2-amino-3-(phenylamino)-. Following Lipinski's Rule of Five, 2-Propenenitrile, 2-amino-3-(phenylamino)- has 2 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 2-Propenenitrile, 2-amino-3-(phenylamino)-?
The CAS number of 2-Propenenitrile, 2-amino-3-(phenylamino)- is 468747-47-9.
What is the molecular formula of 2-Propenenitrile, 2-amino-3-(phenylamino)-?
The molecular formula of 2-Propenenitrile, 2-amino-3-(phenylamino)- is C9H9N3.
What is the molecular weight of 2-Propenenitrile, 2-amino-3-(phenylamino)-?
The molecular weight of 2-Propenenitrile, 2-amino-3-(phenylamino)- is 159.08 g/mol.
Where can I buy 2-Propenenitrile, 2-amino-3-(phenylamino)-?
You can request a quote for 2-Propenenitrile, 2-amino-3-(phenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenenitrile, 2-amino-3-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 2-amino-3-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.