Home Other Building Blocks 39101-54-7
39101-54-7,MFCD00060304
Catalog No.:AA003IMD
39101-54-7 | 3,5-Dimethylphenylacetonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
1 week  
$134.00   $94.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IMD
Chemical Name:
3,5-Dimethylphenylacetonitrile
CAS Number:
39101-54-7
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00060304
IUPAC Name:
2-(3,5-dimethylphenyl)acetonitrile
InChI:
InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3
InChI Key:
LMUKNQSVBFEUKR-UHFFFAOYSA-N
SMILES:
N#CCc1cc(C)cc(c1)C
EC Number:
254-292-1
Properties
Computed Properties
 
Complexity:
155  
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:
2.3  

Synonyms
 
3,5-Dimethylphenylacetonitrile 
39101-54-7 
ACMC-20a3vm 
AC1L3WOM 
3,5-dimethylbenzyl cyanide 
AC1Q2I9R 
AC1Q2IK0 
AC1Q4S2V 
3.5-Dimethylphenylacetonitril 
3,5-dimethylbenzeneacetonitrile 
3,5-dimethylphenylethanenitrile 
SCHEMBL1823353 
2-(3,5-dimethylphenyl)acetonitrile 
3,5-dimethylphenyl-acetonitrile 
Jsp006800 
CTK3J7677 
KS-00000VXC 
DTXSID80192351 
EBD21313 
ZINC2528063 
(3,5-Dimethylphenyl)acetonitrile # 
5088AB 
ANW-55952 
(3,5-Dimethylphenyl)acetonitrile 
CD-866 
SBB064821 
STK661462 
AKOS002217604 
AN-7005 
MCULE-3566722983 
NE11110 
RTR-015691 
VZ34912 
AJ-38219 
Benzeneacetonitrile, 3,5-dimethyl- 
AS-54455 
SC-44737 
DB-022103 
TR-015691 
BB 0222346 
FT-0614701 
ST50143522 
EN300-42383 
I01-5989 
W-106457 
LMUKNQSVBFEUKR-UHFFFAOYSA-N 
F3122-0062 
Z274447884 
A4103/0174930 
C10H11N 
KST-1A4696 
AR-1A3870 
C10-H11-N 
CID123481 
ZINC02528063 
4097-82-9 
(3,5-Dimethyl-phenyl)-acetonitrile 
MFCD00060304 
2-(3,5-dimethylphenyl)ethanenitrile 
EINECS 254-292-1 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A