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1195-98-8,MFCD00099614
Catalog No.:AA000ITE
1195-98-8 | 2-Methyl-2-phenylpropanenitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$42.00   $29.00
- +
5g
97%
in stock  
$172.00   $120.00
- +
10g
97%
in stock  
$272.00   $190.00
- +
25g
97%
in stock  
$524.00   $367.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000ITE
Chemical Name:
2-Methyl-2-phenylpropanenitrile
CAS Number:
1195-98-8
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00099614
IUPAC Name:
2-methyl-2-phenylpropanenitrile
InChI:
InChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
PGQTYXFMSZUGOW-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(C)C
EC Number:
601-624-1
Properties
Computed Properties
 
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-methyl-2-phenylpropanenitrile 
1195-98-8 
2-Methyl-2-phenylpropionitrile 
CTK4B1395 
2-methyl-2-phenyl-propanenitrile 
alpha,alpha-dimethylbenzyl cyanide 
Benzeneacetonitrile,a,a-dimethyl- 
DTXSID80383929 
PGQTYXFMSZUGOW-UHFFFAOYSA-N 
ALBB-012223 
KS-00000ED6 
ZINC2144346 
2-methyl-2-phenyl-propionitrile 
3361AA 
alpha,alpha-dimethylphenylacetonitrile 
MFCD00099614 
STL451487 
Benzeneacetonitrile, |A,|A-dimethyl- 
AKOS005173704 
AC-2447 
MCULE-7021850256 
PS-8962 
TRA0085088 
benzeneacetonitrile, alpha,alpha-dimethyl- 
AJ-33573 
AN-13960 
CJ-07767 
SC-23027 
SY001232 
2-(PHENYL)-2-METHYL PROPIONITRILE 
AB0060930 
DB-061579 
TC-307127 
FT-0683518 
2-Methyl-2-phenylpropanenitrile, 97% 
EN300-35236 
W-6475 
MFCD00099614 (97+%) 
I01-5998 
I01-10000 
Z1238477889 
C10H11N 
ZINC02144346 
CID2797591 
278788-66-2 
phenylisobutyronitrile 
2-Phenylisobutyronitrile 
AC1MDY6R 
AC1Q1LHQ 
SCHEMBL230672 
Literature
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