Home Aldehydes 18381-45-8
18381-45-8,MFCD00001965
Catalog No.:AA003J9O
18381-45-8 | 3-Cyano propionaldehyde diethyl acetal
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Purity
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1g
95%
2 weeks  
$440.00   $308.00
- +
5g
95%
2 weeks  
$1,175.00   $823.00
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25g
98%
2 weeks  
$1,286.00   $900.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003J9O
Chemical Name:
3-Cyano propionaldehyde diethyl acetal
CAS Number:
18381-45-8
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD00001965
IUPAC Name:
4,4-diethoxybutanenitrile
InChI:
InChI=1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H3
InChI Key:
DRZCPHGVEATLFR-UHFFFAOYSA-N
SMILES:
CCOC(OCC)CCC#N
EC Number:
242-263-6
Properties
Computed Properties
 
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
4,4-Diethoxybutanenitrile 
18381-45-8 
AC1Q4S6P 
3-cyanopropanal diethylacetal 
4,4-Diethoxybutanenitrile # 
SCHEMBL562211 
3-cyanopropanal diethyl acetal 
AC1L3E16 
CTK4D8596 
DTXSID20171483 
Succinaldehydonitrile Diethyl Acetal 
ZINC2242672 
3-Cyanopropionaldehyde diethyl acetal 
3-Cyano propanaldehyde diethylacetal 
AKOS015916420 
TRA0052223 
VZ26717 
ACM18381458 
CC-14897 
Propionaldehyde, 3-cyano-, diethyl acetal 
3-Cyanopropionaldehyde diethyl acetal, 98% 
TC-169672 
FT-0637683 
3-cyano propionaldehyde diethyl acetal 
A812819 
C-03699 
J-011780 
I14-50259 
InChI=1/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H 
183851-45-8 
C8-H15-N-O2 
CID87616 
AR-1F7850 
18829-59-9 
Butanenitrile, 4,4-diethoxy- 
Butanenitrile,4,4-diethoxy- 
DRZCPHGVEATLFR-UHFFFAOYSA-N 
EINECS 242-263-6 
ACMC-20an5d 
4,4-diethoxybutyronitrile 
Literature
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