≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184374 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184374 |
| Canonical Smiles | CNCCC#N |
| IUPAC Name | 3-(methylamino)propanenitrile |
| InChIKey | UNIJBMUBHBAUET-UHFFFAOYSA-N |
| INCHI | 1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3 |
| Isomeric SMILES | CNCCC#N |
| WGK Germany | 3 |
| RTECS | TZ4910000 |
| Molecular Weight | 84.12 |
| Beilstein | 1699160 |
| Reaxy-Rn | 1699160 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699160&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Dialkylamines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2228343 | Certificate of Analysis | May 19, 2026 | M104316 |
| G2228360 | Certificate of Analysis | May 19, 2026 | M104316 |
| G2228361 | Certificate of Analysis | May 19, 2026 | M104316 |
| G2228362 | Certificate of Analysis | May 19, 2026 | M104316 |
| F2122165 | Certificate of Analysis | Apr 03, 2025 | M104316 |
| L1917074 | Certificate of Analysis | Oct 20, 2023 | M104316 |
| J2317018 | Certificate of Analysis | Jun 13, 2022 | M104316 |
| L2406334 | Certificate of Analysis | Jun 13, 2022 | M104316 |
| Refractive Index | 1.432 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 112℃ |
| Boil Point(°C) | 182-186°C |
| Molecular Weight | 84.120 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 84.0687 Da |
| Monoisotopic Mass | 84.0687 Da |
| Topological Polar Surface Area | 35.800 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 59.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiaomin Zhang, Xi Feng, He Li, Jing Peng, Youting Wu, Xingbang Hu. (2016) Cyano-Containing Protic Ionic Liquids for Highly Selective Absorption of SO2 from CO2: Experimental Study and Theoretical Analysis. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.6b02588] |
