Home Nitriles Trimethylacetonitrile

Trimethylacetonitrile

CAS No.:
630-18-2
Catalog Number:
AG00360O
Molecular Formula:
C5H9N
Molecular Weight:
83.1317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$15
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00360O
Chemical Name:
Trimethylacetonitrile
CAS Number:
630-18-2
Molecular Formula:
C5H9N
Molecular Weight:
83.1317
MDL Number:
MFCD00143076
IUPAC Name:
2,2-dimethylpropanenitrile
InChI:
InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
InChI Key:
JAMNHZBIQDNHMM-UHFFFAOYSA-N
SMILES:
N#CC(C)(C)C
EC Number:
211-133-0
NSC Number:
890
Properties
Complexity:
77.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.073g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
83.134g/mol
Monoisotopic Mass:
83.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Stabilizing high-valent metal ions with a ketimide ligand set: synthesis of Mn(N=C(t)Bu2)4. Inorganic chemistry 20110516
The reactivity of phosphagermaallene Tip(t-Bu)Ge=C=PMes* with doubly and triply bonded nitrogen compounds. Inorganic chemistry 20101115
Addition reactions to the intramolecular mesityl2P-CH2-CH2-B(C6F5)2 frustrated Lewis pair. Dalton transactions (Cambridge, England : 2003) 20100828
Long bonds and short barriers: ionization and isomerization of alkyl nitriles. The journal of physical chemistry. A 20100121
Synthesis and structural elucidation of solvent-free and solvated lithium dimethyl (HMDS) zincates. Dalton transactions (Cambridge, England : 2003) 20080314
Diverse reactions of 1,4-dilithio-1,3-dienes with nitriles: facile access to tricyclic Delta1-bipyrrolines, multiply substituted pyridines, siloles, and (Z,Z)-dienylsilanes by tuning of substituents on the butadienyl skeleton. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Phosphazene base-catalyzed condensation of trimethylsilylacetate with carbonyl compounds. Chemical communications (Cambridge, England) 20060807
Fourier transform infrared spectroscopic study of the adsorption of CO and nitriles on Na-mordenite: evidence of a new interaction. The journal of physical chemistry. B 20050120
A new color of the synthetic chameleon methoxyallene: synthesis of trifluoromethyl-substituted pyridinol derivatives: an unusual reaction mechanism, a remarkable crystal packing, and first palladium-catalyzed coupling reactions. Chemistry (Weinheim an der Bergstrasse, Germany) 20040906
A one-pot access to 6-substituted phenanthridines from fluoroarenes and nitriles via 1,2-arynes. Organic letters 20020808
Properties