Heptanenitrile, 2-amino-2-methyl-
TL;DR: Heptanenitrile, 2-amino-2-methyl- (CAS 58576-98-0) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-methylheptanenitrile
Also Known As: Heptanenitrile, 2-amino-2-methyl-, 2-amino-2-methylheptanenitrile, RefChem:783673
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.80768 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 121.7095 |
Chemical Identifiers
| CAS Number | 58576-98-0 |
|---|---|
| SMILES | CCCCCC(C)(C#N)N |
Product Overview
Heptanenitrile, 2-amino-2-methyl- (CAS 58576-98-0), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 2-amino-2-methylheptanenitrile.
Chemical Property Profile of Heptanenitrile, 2-amino-2-methyl-
Property Insights of Heptanenitrile, 2-amino-2-methyl-
The XLogP value of 1.80768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanenitrile, 2-amino-2-methyl-. With a topological polar surface area (TPSA) of 49.81 Ų, Heptanenitrile, 2-amino-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanenitrile, 2-amino-2-methyl- 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 Heptanenitrile, 2-amino-2-methyl-?
The CAS number of Heptanenitrile, 2-amino-2-methyl- is 58576-98-0.
What is the molecular formula of Heptanenitrile, 2-amino-2-methyl-?
The molecular formula of Heptanenitrile, 2-amino-2-methyl- is C8H16N2.
What is the molecular weight of Heptanenitrile, 2-amino-2-methyl-?
The molecular weight of Heptanenitrile, 2-amino-2-methyl- is 140.13 g/mol.
Where can I buy Heptanenitrile, 2-amino-2-methyl-?
You can request a quote for Heptanenitrile, 2-amino-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanenitrile, 2-amino-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Heptanenitrile, 2-amino-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.