3-(Methylnitrosoamino)propanenitrile
TL;DR: 3-(Methylnitrosoamino)propanenitrile (CAS 60153-49-3) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-methylnitrous amide
Also Known As: MNPN, 3-(METHYLNITROSAMINO)PROPIONITRILE, 3-(N-Nitrosomethylamino)propionitrile, 3-(Methylnitrosoamino)propanenitrile, N-(2-cyanoethyl)-N-methylnitrous amide
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
| Boiling Point | 216 to 102.8 °C at 0.04 mmHg |
Chemical Identifiers
| CAS Number | 60153-49-3 |
|---|---|
| SMILES | CN(CCC#N)N=O |
| InChIKey | HZDLDFBKYBGNHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylnitrosoamino)propanenitrile (CAS 60153-49-3), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: N-(2-cyanoethyl)-N-methylnitrous amide.
Chemical Property Profile of 3-(Methylnitrosoamino)propanenitrile
Property Insights of 3-(Methylnitrosoamino)propanenitrile
The XLogP value of -0.1 indicates that 3-(Methylnitrosoamino)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.5 Ų, 3-(Methylnitrosoamino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylnitrosoamino)propanenitrile 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 3-(Methylnitrosoamino)propanenitrile?
The CAS number of 3-(Methylnitrosoamino)propanenitrile is 60153-49-3.
What is the molecular formula of 3-(Methylnitrosoamino)propanenitrile?
The molecular formula of 3-(Methylnitrosoamino)propanenitrile is C4H7N3O.
What is the molecular weight of 3-(Methylnitrosoamino)propanenitrile?
The molecular weight of 3-(Methylnitrosoamino)propanenitrile is 113.06 g/mol.
Where can I buy 3-(Methylnitrosoamino)propanenitrile?
You can request a quote for 3-(Methylnitrosoamino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylnitrosoamino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylnitrosoamino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.