3,3'-(苯基亚氨基)二丙腈
TL;DR: 3,3'-(苯基亚氨基)二丙腈 (CAS 1555-66-4) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-(苯基亚氨基)二丙腈
3-[N-(2-cyanoethyl)anilino]propanenitrile
Also Known As: N,N-Bis(cyanoethyl)aniline, N,N-Bis(2-cyanoethyl)aniline, N,N-Dicyanoethylaniline, 3,3'-(Phenylazanediyl)dipropanenitrile, Bis(2-cyanoethyl)phenylamine
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 1555-66-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)CCC#N |
| InChIKey | NSVHSAUVIFTVPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(苯基亚氨基)二丙腈 (CAS 1555-66-4), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 3-[N-(2-cyanoethyl)anilino]propanenitrile.
Chemical Property Profile of 3,3'-(苯基亚氨基)二丙腈
Property Insights of 3,3'-(苯基亚氨基)二丙腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(苯基亚氨基)二丙腈. With a topological polar surface area (TPSA) of 50.8 Ų, 3,3'-(苯基亚氨基)二丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-(苯基亚氨基)二丙腈 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'-(苯基亚氨基)二丙腈?
The CAS number of 3,3'-(苯基亚氨基)二丙腈 is 1555-66-4.
What is the molecular formula of 3,3'-(苯基亚氨基)二丙腈?
The molecular formula of 3,3'-(苯基亚氨基)二丙腈 is C12H13N3.
What is the molecular weight of 3,3'-(苯基亚氨基)二丙腈?
The molecular weight of 3,3'-(苯基亚氨基)二丙腈 is 199.11 g/mol.
Where can I buy 3,3'-(苯基亚氨基)二丙腈?
You can request a quote for 3,3'-(苯基亚氨基)二丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(苯基亚氨基)二丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(苯基亚氨基)二丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.