2-(Methyleneamino)acetonitrile
TL;DR: 2-(Methyleneamino)acetonitrile (CAS 109-82-0) is a chemical compound with molecular formula C3H4N2 and molecular weight 68.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylideneamino)acetonitrile
Also Known As: Methyleneaminoacetonitrile, Methylenaminoacetonitrile, MAAN, 2-(methyleneamino)acetonitrile, (methyleneamino)acetonitrile
| Molecular Formula | C3H4N2 |
|---|---|
| Molecular Weight | 68.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 68.037445 |
| Heavy Atoms | 5 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 109-82-0 |
|---|---|
| SMILES | C=NCC#N |
| InChIKey | GFZMFCVDDFHSJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methyleneamino)acetonitrile (CAS 109-82-0), with molecular formula C3H4N2 and molecular weight 68.04 g/mol. IUPAC: 2-(methylideneamino)acetonitrile.
Chemical Property Profile of 2-(Methyleneamino)acetonitrile
Property Insights of 2-(Methyleneamino)acetonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methyleneamino)acetonitrile. With a topological polar surface area (TPSA) of 36.2 Ų, 2-(Methyleneamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methyleneamino)acetonitrile has 0 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 2-(Methyleneamino)acetonitrile?
The CAS number of 2-(Methyleneamino)acetonitrile is 109-82-0.
What is the molecular formula of 2-(Methyleneamino)acetonitrile?
The molecular formula of 2-(Methyleneamino)acetonitrile is C3H4N2.
What is the molecular weight of 2-(Methyleneamino)acetonitrile?
The molecular weight of 2-(Methyleneamino)acetonitrile is 68.04 g/mol.
Where can I buy 2-(Methyleneamino)acetonitrile?
You can request a quote for 2-(Methyleneamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methyleneamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methyleneamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.