2-(Methylnitrosoamino)acetonitrile
TL;DR: 2-(Methylnitrosoamino)acetonitrile (CAS 3684-97-7) is a chemical compound with molecular formula C3H5N3O and molecular weight 99.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-N-methylnitrous amide
Also Known As: N-Nitrosomethylaminoacetonitrile, (Cyanomethyl)methylnitrosamine, N-Nitrosomethylaminacetonitril, 2-(Methylnitrosoamino)acetonitrile, (Methylnitrosoamino)acetonitrile
| Molecular Formula | C3H5N3O |
|---|---|
| Molecular Weight | 99.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.04326 |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 3684-97-7 |
|---|---|
| SMILES | CN(CC#N)N=O |
| InChIKey | KJIVJRGXJXQEQK-UHFFFAOYSA-N |
Product Overview
2-(Methylnitrosoamino)acetonitrile (CAS 3684-97-7), with molecular formula C3H5N3O and molecular weight 99.04 g/mol. IUPAC: N-(cyanomethyl)-N-methylnitrous amide.
Chemical Property Profile of 2-(Methylnitrosoamino)acetonitrile
Property Insights of 2-(Methylnitrosoamino)acetonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylnitrosoamino)acetonitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 2-(Methylnitrosoamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylnitrosoamino)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(Methylnitrosoamino)acetonitrile?
The CAS number of 2-(Methylnitrosoamino)acetonitrile is 3684-97-7.
What is the molecular formula of 2-(Methylnitrosoamino)acetonitrile?
The molecular formula of 2-(Methylnitrosoamino)acetonitrile is C3H5N3O.
What is the molecular weight of 2-(Methylnitrosoamino)acetonitrile?
The molecular weight of 2-(Methylnitrosoamino)acetonitrile is 99.04 g/mol.
Where can I buy 2-(Methylnitrosoamino)acetonitrile?
You can request a quote for 2-(Methylnitrosoamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylnitrosoamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylnitrosoamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.