7-氨基庚腈
TL;DR: 7-氨基庚腈 (CAS 23181-80-8) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-氨基庚腈
7-aminoheptanenitrile
Also Known As: 7-Aminoheptanenitrile, 7-Aminoheptanonitrile, Heptanenitrile,7-amino-, HEPTANENITRILE, 7-AMINO-, 7-amino-heptanonitrile
| Molecular Formula | C7H14N2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 23181-80-8 |
|---|---|
| SMILES | C(CCCN)CCC#N |
| InChIKey | BWOPSPUFLXTNEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-氨基庚腈 (CAS 23181-80-8), with molecular formula C7H14N2 and molecular weight 126.12 g/mol. IUPAC: 7-aminoheptanenitrile.
Chemical Property Profile of 7-氨基庚腈
Property Insights of 7-氨基庚腈
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-氨基庚腈. With a topological polar surface area (TPSA) of 49.8 Ų, 7-氨基庚腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-氨基庚腈 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 7-氨基庚腈?
The CAS number of 7-氨基庚腈 is 23181-80-8.
What is the molecular formula of 7-氨基庚腈?
The molecular formula of 7-氨基庚腈 is C7H14N2.
What is the molecular weight of 7-氨基庚腈?
The molecular weight of 7-氨基庚腈 is 126.12 g/mol.
Where can I buy 7-氨基庚腈?
You can request a quote for 7-氨基庚腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氨基庚腈?
Yes, KEHONG BIO provides custom synthesis services for 7-氨基庚腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.