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Substance Name: 4-Hydroxybenzylcyanide
RN: 14191-95-8
UNII: 18Q5J224RM
InChIKey: AYKYOOPFBCOXSL-UHFFFAOYSA-N
Note
- Suicide substrate for dopamine beta-hydroxylase.
Classification Code
- Mutation Data
Molecular Formula
- C8-H7-N-O
Molecular Weight
- 133.149
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Hydroxybenzylcyanide
Synonyms
- (4-Hydroxyphenyl)acetonitrile
- 4-10-00-00554 (Beilstein Handbook Reference)
- 4-Hydroxybenzeneacetonitrile
- 4-Hydroxybenzyl cyanide
- BRN 1934470
- EINECS 238-046-0
- NSC 76080
- p-Hydroxybenzyl cyanide
- p-Hydroxyphenylacetonitrile
- UNII-18Q5J224RM
Systematic Names
- 4-Hydroxyphenylacetonitrile
- Acetonitrile, (p-hydroxyphenyl)-
- Benzeneacetonitrile, 4-hydroxy- (9CI)
Registry Numbers
CAS Registry Number
- 14191-95-8
FDA UNII
- 18Q5J224RM
System Generated Number
- 0014191958
Structure Descriptors
InChI
1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2InChIKey
AYKYOOPFBCOXSL-UHFFFAOYSA-NSmiles
c1(ccc(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | subcutaneous | 250mg/kg (250mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Food and Cosmetics Toxicology. Vol. 18, Pg. 159, 1980. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | 1.080 | (none) | EST | |
| Water Solubility | 2.20E+04 | mg/L | 25 | EST |
| Vapor Pressure | 7.12E-04 | mm Hg | 25 | EST |
| Henry's Law Constant | 2.57E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.00E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.