3,3'-((3-甲基苯基)亚氨基)双丙腈
TL;DR: 3,3'-((3-甲基苯基)亚氨基)双丙腈 (CAS 18934-20-8) is a chemical compound with molecular formula C13H15N3 and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-((3-甲基苯基)亚氨基)双丙腈
3-[N-(2-cyanoethyl)-3-methylanilino]propanenitrile
Also Known As: N,N-Dicyanoethyl-m-toluidine, 3,3'-(m-Tolylimino)dipropiononitrile, 3,3'-(m-Tolylimino)dipropionitrile, N,N-Di(2-cyanoethyl)-m-toluidine, Propanenitrile, 3,3'-[(3-methylphenyl)imino]bis-
| Molecular Formula | C13H15N3 |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.1266 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 18934-20-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(CCC#N)CCC#N |
| InChIKey | KOLCFYBQZNXWET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-((3-甲基苯基)亚氨基)双丙腈 (CAS 18934-20-8), with molecular formula C13H15N3 and molecular weight 213.13 g/mol. IUPAC: 3-[N-(2-cyanoethyl)-3-methylanilino]propanenitrile.
Chemical Property Profile of 3,3'-((3-甲基苯基)亚氨基)双丙腈
Property Insights of 3,3'-((3-甲基苯基)亚氨基)双丙腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-((3-甲基苯基)亚氨基)双丙腈. With a topological polar surface area (TPSA) of 50.8 Ų, 3,3'-((3-甲基苯基)亚氨基)双丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-((3-甲基苯基)亚氨基)双丙腈 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 3,3'-((3-甲基苯基)亚氨基)双丙腈?
The CAS number of 3,3'-((3-甲基苯基)亚氨基)双丙腈 is 18934-20-8.
What is the molecular formula of 3,3'-((3-甲基苯基)亚氨基)双丙腈?
The molecular formula of 3,3'-((3-甲基苯基)亚氨基)双丙腈 is C13H15N3.
What is the molecular weight of 3,3'-((3-甲基苯基)亚氨基)双丙腈?
The molecular weight of 3,3'-((3-甲基苯基)亚氨基)双丙腈 is 213.13 g/mol.
Where can I buy 3,3'-((3-甲基苯基)亚氨基)双丙腈?
You can request a quote for 3,3'-((3-甲基苯基)亚氨基)双丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-((3-甲基苯基)亚氨基)双丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-((3-甲基苯基)亚氨基)双丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.