2-甲基十一烷腈
TL;DR: 2-甲基十一烷腈 (CAS 13887-79-1) is a chemical compound with molecular formula C12H23N and molecular weight 181.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基十一烷腈
2-methylundecanenitrile
Also Known As: 2-methylundecanenitrile, 2-Methylundecanonitrile, Undecanenitrile,2-methyl-, Undecanenitrile, 2-methyl-, EINECS 237-654-3
| Molecular Formula | C12H23N |
|---|---|
| Molecular Weight | 181.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 181.18304 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 13887-79-1 |
|---|---|
| SMILES | CCCCCCCCCC(C)C#N |
| InChIKey | AOBQKRPEXFNDAP-UHFFFAOYSA-N |
Product Overview
2-甲基十一烷腈 (CAS 13887-79-1), with molecular formula C12H23N and molecular weight 181.18 g/mol. IUPAC: 2-methylundecanenitrile.
Chemical Property Profile of 2-甲基十一烷腈
Property Insights of 2-甲基十一烷腈
The XLogP value of 5.2 indicates that 2-甲基十一烷腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-甲基十一烷腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基十一烷腈 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-甲基十一烷腈?
The CAS number of 2-甲基十一烷腈 is 13887-79-1.
What is the molecular formula of 2-甲基十一烷腈?
The molecular formula of 2-甲基十一烷腈 is C12H23N.
What is the molecular weight of 2-甲基十一烷腈?
The molecular weight of 2-甲基十一烷腈 is 181.18 g/mol.
Where can I buy 2-甲基十一烷腈?
You can request a quote for 2-甲基十一烷腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基十一烷腈?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基十一烷腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.