2-(6-Methoxy-2-naphthyl)propionic acid
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Basic information
- CAS
23981-80-8- Standard SMILES
COc1ccc2cc(C(C)C(=O)O)ccc2c1- InChIKey
CMWTZPSULFXXJA-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Overview
2-(6-methoxy-2-naphthalenyl)propanoic acid is a member of naphthalenes.
Names & identifiers
- Preferred name
- 2-(6-Methoxy-2-naphthyl)propionic acid
- IUPAC
- 2-(6-methoxynaphthalen-2-yl)propanoic acid
- English name
- (+/-)-2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID
- Molecular formula
- C14H14O3
- Molecular weight
- 230.26
Names & synonyms
2-(6-Methoxy-2-naphthyl)propionic acidRefChem:459236245-969-223981-80-82-(6-methoxynaphthalen-2-yl)propanoic acidDL-Naproxen(+/-)-2-(6-Methoxy-2-naphthyl)propionic AcidRacemic Naproxen2-(6-Methoxy-2-naphthyl)propanoic acid(+/-)-naproxen26159-31-9(RS)-Naproxen
Show more names
rac Naproxendj-NaproxenAKOS B006488(±)-NaproxenNaproxen Racemate
rac-naproxenMFCD00439456NaprosineProxineNaproxen Impurity 34( inverted exclamation markA)-Naproxen(+/-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic Acidalpha-(6-Methoxy-2-naphthyl)propionic acid
Database identifiers
- CAS
23981-80-8、26159-31-9- PubChem CID
- 1302
- DTXSID
DTXSID70860274- ChEMBL
CHEMBL12952- ChEBI
CHEBI:91939- UNII
- T5ADC7PXJ9
- EC Number
- 245-969-2、247-485-7
- Nikkaji
- J242.713C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
DrugsPharmaceuticals
LogP3.58
Physicochemical properties
- Melting point
- 157 °C · 157°C
- Boiling point
- 403.9 · 403.9±20.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 4.84 · 4.84±0.30(Predicted)
- form
- Solid
- color
- White to Light red to Green
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
- InChIKey
- CMWTZPSULFXXJA-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P308+P316, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory InformationREACH registered substance: (±)-2-(6-methoxy-2-naphthyl)propionic acid (EC: 247-485-7)
Hazard Classes and Categories
Acute Tox. 3 (66.7%)
Acute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- 2811
- hs_code
- 29189900
- risk_code
- 36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301
Chemistry & industry
Applications
UsesAn anti-inflammatory, analgesic, antipyretic. A non-steroidal anti-inflammatory.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2-(6-methoxy-2-naphthalenyl)propanoic acid is a member of naphthalenes.
Related reactions
980 records
Compound notes
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