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Details

Stereochemistry ACHIRAL
Molecular Formula C4H7NO
Molecular Weight 85.1045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Acetone cyanohydrin

SMILES

CC(C)(O)C#N

InChI

InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

HIDE SMILES / InChI
Molecular Formula C4H7NO
Molecular Weight 85.1045
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Synthesis of L-altro-1-deoxynojirimycin, D-allo-1-deoxynojirimycin, and D-galacto-1-deoxynojirimycin from a single chiral cyanohydrin.
2010-09-03
Enantioselective chemoenzymatic synthesis of cis- and trans-2,5-disubstituted morpholines.
2010-05-21
Evaluation of acetone cyanohydrin effect in 'in vitro' inativation of the Ehrlich ascites tumor cells.
2010-02
Efficient production of active form recombinant cassava hydroxynitrile lyase using Escherichia coli in low-temperature culture.
2010
Enantioselective chemoenzymatic synthesis of trans-aziridines.
2009-10-02
How to overcome limitations in biotechnological processes - examples from hydroxynitrile lyase applications.
2009-10
alpha-Hydroxynitrile lyase protein from Xylella fastidiosa: Cloning, expression, and characterization.
2009-09
Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis.
2008-08-01
An R-selective hydroxynitrile lyase from Arabidopsis thaliana with an alpha/beta-hydrolase fold.
2007
Inversion of stereoselectivity by applying mutants of the hydroxynitrile lyase from Manihot esculenta.
2005-04
SNPs, SSRs and inferences on cassava's origin.
2004-11
Enzymatic enantioselective transcyanation of silicon-containing aliphatic ketone with (S)-hydroxynitrile lyase from Manihot esculenta.
2004-11
Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236.
2004-05-07
Chemical-chemical interaction between cyanogenic toxicants and aldehydes: a mechanism-based QSAR approach to assess toxicological joint effects.
2004-04
[Cloning, expression and preliminary application of a alpha-hydroxynitrile lyase from cassave].
2001-01
Patents

Patents

04088821
2
04522991
1
04780127
1
04786309
1
05411981
1
05416061
1
06100419
1
06207715
4
06262074
1
06262090
3
06265606
1
06407123
3
06410571
3
07393852
1
07425631
1
07435837
1
07442348
1
07635715
2
08183274
4
08288319
1
08481525
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:07:44 GMT 2025
Edited
by admin
on Mon Mar 31 21:07:44 GMT 2025
Record UNII
CO1YOV1KFI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Acetone cyanohydrin
MI  
Common Name English
NSC-131093
Preferred Name English
ACH
Common Name English
2-CYANO-2-PROPANOL
Systematic Name English
2-CYANO-2-HYDROXYPROPANE
Systematic Name English
ACETONE CYANOHYDRIN [MI]
Common Name English
2-METHYLLACTONITRILE
Systematic Name English
2-HYDROXYISOBUTYRONITRILE
Systematic Name English
2-PROPANONE, CYANOHYDRIN
Common Name English
.ALPHA.-HYDROXYISOBUTYRONITRILE
Systematic Name English
ACETONE CYANHYDRIN
Common Name English
PROPANENITRILE, 2-HYDROXY-2-METHYL-
Systematic Name English
2-HYDROXY-2-METHYLPROPANENITRILE
Systematic Name English
2-HYDROXY-2-METHYLPROPIONITRILE
Systematic Name English
LACTONITRILE, 2-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
CO1YOV1KFI
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
WIKIPEDIA
Acetone cyanohydrin
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
HSDB
971
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
MERCK INDEX
m1336
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY Merck Index
PUBCHEM
6406
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
CAS
75-86-5
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
200-909-4
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
MESH
C010833
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID7025427
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
NSC
131093
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
DRUG BANK
DB02203
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
CHEBI
15348
Created by admin on Mon Mar 31 21:07:44 GMT 2025 , Edited by admin on Mon Mar 31 21:07:44 GMT 2025
PRIMARY
NIH
NCATS
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