Compound Summary
Mandelonitrile
Compound Information
Mandelonitrile
Compound Name: | Mandelonitrile |
Compound CID: | 10758 |
Synonyms: | Mandelonitrile 532-28-5 Benzaldehyde cyanohydrin Amygdalonitrile Phenylglycolonitrile More... |
Iupac Name: | 2-hydroxy-2-phenylacetonitrile |
InChI: | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H |
InChIKey: | NNICRUQPODTGRU-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC=C(C=C1)C(C#N)O |
Isomeric Smiles: | C1=CC=C(C=C1)C(C#N)O |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Mandelonitrile
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 10 |
Complexity: | 141 |
Synonyms
Mandelonitrile
| Mandelonitrile | Mandelonitrile |
|---|---|
Mandelonitrile |
532-28-5 |
Benzaldehyde cyanohydrin |
Amygdalonitrile |
Phenylglycolonitrile |
Mandelic acid nitrile |
ALPHA-HYDROXYBENZENEACETONITRILE |
Glycolonitrile, phenyl- |
Benzaldehydkyanhydrin |
Acetonitrile, hydroxyphenyl- |
Nitril kyseliny mandlove |
Mandelonitrile, tech grade |
hydroxy(phenyl)acetonitrile |
2-hydroxy-2-phenylacetonitrile |
Benzeneacetonitrile, .alpha.-hydroxy- |
Benzaldehyde, cyanohydrin |
NSC 77668 |
CHEBI:16910 |
.alpha.-Hydroxybenzeneacetonitrile |
MFCD00004487 |
Mandelonitrile, (+-)- |
Benzaldehydkyanhydrin Czech |
CCRIS 4656 |
Nitril kyseliny mandlove Czech |
EINECS 208-532-7 |
(+-)-alpha-Hydroxybenzeneacetonitrile |
BRN 2207122 |
alpha-Hydroxyphenylacetonitrile |
AI3-50437 |
2-hydroxy-2-phenyl-acetonitrile |
(2R)-2-Hydroxy-2-phenyl-acetonitrile |
Benzeneacetonitrile, alpha-hydroxy- |
racemic mandelonitrile |
alpha-Cyanobenzyl alcohol |
WLN: QYR&CN |
DSSTox_CID_5422 |
(.+/-.)-Mandelonitrile |
hydroxyl(phenyl)acetonitrile |
.alpha.-Cyanobenzyl alcohol |
DSSTox_RID_77778 |
NCIOpen2_000888 |
DSSTox_GSID_25422 |
4-10-00-00578 (Beilstein Handbook Reference) |
SCHEMBL196731 |
Mandelonitrile, technical grade |
2-hydroxy-2-phenylethanenitrile |
2-hydroxyl-2-phenylacetonitrile |
CHEMBL1393845 |
DTXSID2025422 |
Hydroxyphenylacetonitrile (Related) |
NSC77668 |
Tox21_200804 |
8049AF |
BBL100015 |
NSC-77668 |
STL164354 |
AKOS005363772 |
MCULE-8555353642 |
SB44716 |
SB45998 |
(+/-)-2-Hydroxy-2-phenylacetonitrile |
NCGC00090867-01 |
NCGC00090867-02 |
NCGC00258358-01 |
CAS-532-28-5 |
DB-058327 |
FT-0622621 |
FT-0695991 |
M0566 |
ST51037901 |
Q3844407 |
Experimental Data
Mandelonitrile
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Lutzomyia longipalpis | 7.500000000000000 | mM | 15.000000000000000 | 10.000000000000000 | -33.000000000000000 | S | FEMALES | 30501613 | Inactive | ||||
| Lutzomyia longipalpis | 7.500000000000000 | mM | 17.000000000000000 | 7.000000000000000 | -59.000000000000000 | S | MALES | 30501613 | Inactive |
Experimental Data Visualization
Mandelonitrile
Statistics Data
Mandelonitrile
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Lutzomyia longipalpis | -33.000000000000000 | 1 | 2 |
Statistics Data Visualization
Mandelonitrile
