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Synonyms
DTXSID30393775 | EN300-1249286 | LXVMQKREAPQFPN-UHFFFAOYSA-N | 2,2-dimethylhexanenitrile | F8883-9502 | SCHEMBL6920148 | AKOS014711958 | 2,2-dimethylcapronitrile | T71059 | MFCD21196955 | D4166
Specifications Synonyms
DTXSID30393775 | EN300-1249286 | LXVMQKREAPQFPN-UHFFFAOYSA-N | 2, 2-dimethylhexanenitrile | F8883-9502 | SCHEMBL6920148 | AKOS014711958 | 2, 2-dimethylcapronitrile | T71059 | MFCD21196955 | D4166
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CCCCC(C)(C)C#N IUPAC Name 2,2-dimethylhexanenitrile InChIKey LXVMQKREAPQFPN-UHFFFAOYSA-N INCHI 1S/C8H15N/c1-4-5-6-8(2,3)7-9/h4-6H2,1-3H3 Isomeric SMILES CCCCC(C)(C)C#N Molecular Weight 125.22 Reaxy-Rn 1744344 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744344&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.41 Flash Point(°C) 49 °C Boil Point(°C) 67°C/14mmHg(lit.) Molecular Weight 125.210 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 3 Exact Mass 125.12 Da Monoisotopic Mass 125.12 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 116.000 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
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