Basic information
- CAS
673-31-4- Standard SMILES
NC(=O)OCCCc1ccccc1- InChIKey
CAMYKONBWHRPDD-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
Phenprobamate is a member of benzenes.
Names & identifiers
- Preferred name
- Phenprobamate
- IUPAC
- 3-phenylpropyl carbamate
- English name
- Phenprobamate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
phenprobamate3-Phenylpropyl carbamate673-31-4SpantolAnsepronEirenalExtacolActiphanActozineFenprobamatoNelaxanPalmita
Show more names
Actozinmx532MH 532Istonil
3-Phenyl-1-propanol carbamate1-Carbamoyloxy-3-phenylpropanePhenprobamatumHG 532MH-532gamma-Phenylpropyl carbamateDTXSID2046464UJZ473TPS0
Database identifiers
- CAS
673-31-4- PubChem CID
- 4770
- DTXSID
DTXSID2046464- ChEMBL
CHEMBL1079576- ChEBI
CHEBI:31992- UNII
- UJZ473TPS0
- EC Number
- 211-606-1
- Nikkaji
- J3.316B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials PropertiesFusion temperature
LogP1.96
Physicochemical properties
- Melting point
- 101 · 101-104°
- Boiling point
- 311.75 °C · 311.75°C (rough estimate)
- Density
- 1.1248 · 1.1248 (rough estimate)
- refractive index
- 1.571 · 1.5710 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.47 · 13.47±0.50(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
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
Regulatory InformationChemical: Benzenepropanol, carbamate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- Toxicity
- LD50 orally in mice: 840 mg/kg (Stille)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
Applications
UsesPhenprobamate (3-phenylpropylcarbamate) is a centrally acting muscle relaxant with mild sedative and anticonvulsant effects. Muscle relaxants can enhance and prolong the effect of narcotic drugs and enable to obtain same effect with a smaller amount of alcohol or illicit substance.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北省八峰药化股份有限公司[email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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