3-(丙-2-烯-1-基氨基)丙腈
TL;DR: 3-(丙-2-烯-1-基氨基)丙腈 (CAS 39163-39-8) is a chemical compound with molecular formula C6H10N2 and molecular weight 110.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(丙-2-烯-1-基氨基)丙腈
3-(prop-2-enylamino)propanenitrile
Also Known As: 3-(ALLYLAMINO)PROPANENITRILE, 3-(prop-2-en-1-ylamino)propanenitrile, 3-(prop-2-enylamino)propanenitrile, 3-[(prop-2-en-1-yl)amino]propanenitrile, 3-(Allylamino)propiononitrile
| Molecular Formula | C6H10N2 |
|---|---|
| Molecular Weight | 110.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 110.0844 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 39163-39-8 |
|---|---|
| SMILES | C=CCNCCC#N |
| InChIKey | QACOAACFEMBVFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(丙-2-烯-1-基氨基)丙腈 (CAS 39163-39-8), with molecular formula C6H10N2 and molecular weight 110.08 g/mol. IUPAC: 3-(prop-2-enylamino)propanenitrile.
Chemical Property Profile of 3-(丙-2-烯-1-基氨基)丙腈
Property Insights of 3-(丙-2-烯-1-基氨基)丙腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(丙-2-烯-1-基氨基)丙腈. With a topological polar surface area (TPSA) of 35.8 Ų, 3-(丙-2-烯-1-基氨基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(丙-2-烯-1-基氨基)丙腈 has 1 hydrogen bond donor(s) and 2 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-(丙-2-烯-1-基氨基)丙腈?
The CAS number of 3-(丙-2-烯-1-基氨基)丙腈 is 39163-39-8.
What is the molecular formula of 3-(丙-2-烯-1-基氨基)丙腈?
The molecular formula of 3-(丙-2-烯-1-基氨基)丙腈 is C6H10N2.
What is the molecular weight of 3-(丙-2-烯-1-基氨基)丙腈?
The molecular weight of 3-(丙-2-烯-1-基氨基)丙腈 is 110.08 g/mol.
Where can I buy 3-(丙-2-烯-1-基氨基)丙腈?
You can request a quote for 3-(丙-2-烯-1-基氨基)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-(丙-2-烯-1-基氨基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(丙-2-烯-1-基氨基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.