3,3'-氮杂二丁腈
TL;DR: 3,3'-氮杂二丁腈 (CAS 90088-72-5) is a chemical compound with molecular formula C8H13N3 and molecular weight 151.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-氮杂二丁腈
3-(1-cyanopropan-2-ylamino)butanenitrile
Also Known As: 3,3'-Iminodibutyronitrile, Di(2-cianoisopropil)ammina, 3,3'-Azanediyldibutanenitrile, Di(2-cianoisopropil)ammina [Italian], BUTYRONITRILE, 3,3'-IMINODI-
| Molecular Formula | C8H13N3 |
|---|---|
| Molecular Weight | 151.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 151.11095 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 90088-72-5 |
|---|---|
| SMILES | CC(CC#N)NC(C)CC#N |
| InChIKey | XCZJUCJIQIXSBZ-UHFFFAOYSA-N |
Product Overview
3,3'-氮杂二丁腈 (CAS 90088-72-5), with molecular formula C8H13N3 and molecular weight 151.11 g/mol. IUPAC: 3-(1-cyanopropan-2-ylamino)butanenitrile.
Chemical Property Profile of 3,3'-氮杂二丁腈
Property Insights of 3,3'-氮杂二丁腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-氮杂二丁腈. With a topological polar surface area (TPSA) of 59.6 Ų, 3,3'-氮杂二丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-氮杂二丁腈 has 1 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'-氮杂二丁腈?
The CAS number of 3,3'-氮杂二丁腈 is 90088-72-5.
What is the molecular formula of 3,3'-氮杂二丁腈?
The molecular formula of 3,3'-氮杂二丁腈 is C8H13N3.
What is the molecular weight of 3,3'-氮杂二丁腈?
The molecular weight of 3,3'-氮杂二丁腈 is 151.11 g/mol.
Where can I buy 3,3'-氮杂二丁腈?
You can request a quote for 3,3'-氮杂二丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-氮杂二丁腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-氮杂二丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.