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22445-42-7,MFCD00060670
Catalog No.:AA003IM2
22445-42-7 | 3,5-Dimethylbenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$29.00   $20.00
- +
10g
>97%
in stock  
$54.00   $38.00
- +
25g
98%
in stock  
$79.00   $55.00
- +
100g
98%
in stock  
$215.00   $150.00
- +
500g
98%
in stock  
$874.00   $612.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IM2
Chemical Name:
3,5-Dimethylbenzonitrile
CAS Number:
22445-42-7
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00060670
IUPAC Name:
3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,1-2H3
InChI Key:
YFKRLZLGVDDKAL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)C
EC Number:
245-001-9
Properties
Computed Properties
 
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
3,5-Dimethylbenzonitrile 
22445-42-7 
2-Amino-methyl-priperidine 
3,5-Dimethyl-benzonitrile 
3.5-Dimethyl-benzonitrile 
AC1Q2GV7 
3,5-Dimethylbenzonitrile # 
KSC493K5T 
1,3-Dimethyl-5-cyanobenzene 
SCHEMBL501406 
CTK3J3559 
DTXSID50176986 
3,5-Dimethyl benzonitrile 
ACN-S004017 
CS-Z0030 
KS-00000EH6 
ZINC2528205 
3,5-Dimethylbenzonitrilradikalkation 
ANW-50159 
MFCD00060670 
AKOS005145654 
DS-1086 
MCULE-1571369080 
Benzonitrile, 3,5-dimethyl- 
RTR-010567 
TRA0050371 
VZ25841 
AC-26718 
AJ-38253 
AK-43272 
BR-43272 
CJ-09014 
P761 
SC-16670 
YFKRLZLGVDDKAL-UHFFFAOYSA-N 
SY016824 
AB0017193 
TL8001883 
TR-010567 
4CH-006121 
A4816 
A4872 
AM20060238 
FT-0638234 
ST24032546 
EINECS 245-001-9 
EN300-72707 
M-3428 
MFCD00060670 (97+%) 
445D427 
I01-0257 
Z1259273236 
piperidin-2-ylmethanamine 
C9H9N 
C9-H9-N 
CID89718 
PubChem12528 
3,5-Dimethylbenzonitrile, 98% 1g 
AR-1E9762 
ZINC02528205 
22990-77-8 
AC1L3IGL 
AC1Q4RAX 
3.5-Dimethylbenzonitrile 
Literature
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