Sec-butylaminoacetonitrile
TL;DR: Sec-butylaminoacetonitrile (CAS 56095-81-9) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butan-2-ylamino)acetonitrile
Also Known As: Sec-butylaminoacetonitrile, N-sec-Butylaminoacetonitrile, (sec-Butylamino)acetonitrile, 2-(butan-2-ylamino)acetonitrile, 2-[(butan-2-yl)amino]acetonitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 56095-81-9 |
|---|---|
| SMILES | CCC(C)NCC#N |
| InChIKey | OEHOCCGKJKWJAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sec-butylaminoacetonitrile (CAS 56095-81-9), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 2-(butan-2-ylamino)acetonitrile.
Chemical Property Profile of Sec-butylaminoacetonitrile
Property Insights of Sec-butylaminoacetonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sec-butylaminoacetonitrile. With a topological polar surface area (TPSA) of 35.8 Ų, Sec-butylaminoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-butylaminoacetonitrile 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 Sec-butylaminoacetonitrile?
The CAS number of Sec-butylaminoacetonitrile is 56095-81-9.
What is the molecular formula of Sec-butylaminoacetonitrile?
The molecular formula of Sec-butylaminoacetonitrile is C6H12N2.
What is the molecular weight of Sec-butylaminoacetonitrile?
The molecular weight of Sec-butylaminoacetonitrile is 112.10 g/mol.
Where can I buy Sec-butylaminoacetonitrile?
You can request a quote for Sec-butylaminoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sec-butylaminoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Sec-butylaminoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.