Basic information
- CAS
553-69-5- Standard SMILES
OC(CNc1ccccn1)c1ccccc1- InChIKey
ZEAJXCPGHPJVNP-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Overview
Crystals (from dilute methanol). (NTP, 1992)
Names & identifiers
- Preferred name
- alpha-((2-Pyridinylamino)methyl)benzenemethanol
- IUPAC
- 1-phenyl-2-(pyridin-2-ylamino)ethanol
- English name
- PHENYRAMIDOL
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
FenyramidolPhenyramidolCabralEvasprinEvasprine553-69-5BonaparAbbolexinFeniramidolFeniramidoloFenyramidolum(+-)-Phenyramidol
Show more names
1-phenyl-2-(pyridin-2-ylamino)ethanolIN 511MJ 505Vilexin
MiodarMJ-505NSC-236342-(beta-Hydroxyphenethylamino)pyridineAnalexinR3V02WL7O3alpha-(2-Pyridylaminomethyl)benzyl alcoholDTXSID00862185
Database identifiers
- CAS
553-69-5- PubChem CID
- 9470
- DTXSID
DTXSID00862185- ChEMBL
CHEMBL1697767- ChEBI
CHEBI:134888- UNII
- R3V02WL7O3
- EC Number
- 209-044-7
- Nikkaji
- J9.415C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Melting Point180 to 185 °F (NTP, 1992)
Physical DescriptionCrystals (from dilute methanol). (NTP, 1992)
Physicochemical properties
- Melting point
- 82 · 82-85°
- Boiling point
- 354.4 °C · 354.4°C (rough estimate)
- Density
- 1.085 · 1.0850 (rough estimate)
- refractive index
- 1.645 · 1.6450 (estimate)
- pka
- 5.85 · 5.85(at 25℃)
- FDA UNII
- 3 V02WL7O3 · R3V02WL7O3
- ATC code
- 3 BX30 · M03BX30
- EPA Substance Registry System
- Fenyramidol (553-69-5)
- Toxicity
- 50 oral · LD50 oral in rat: 756mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.-[(2-pyridinylamino)methyl]-: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
FENYRAMIDOL is an amine and an alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
Applications
Uses(±)-Phenyramidol can be used in biological study of preparation of nitric oxide releasing prodrugs useful in the treatment of diseases. It is also a muscle relaxant drug.
UsesAnalgesic; relaxant (skeletal muscle).
General DescriptionCrystals (from dilute methanol).
Upstream & downstream products
Upstream raw materials
Suppliers6 total
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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