Fomocaine
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Basic information
- CAS
17692-39-6- Standard SMILES
c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1- InChIKey
CVHGCWVMTZWGAY-UHFFFAOYSA-N- Molecular formula
- C20H25NO2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.18852904
Overview
Fomocaine is an amine.
Names & identifiers
- Preferred name
- Fomocaine
- IUPAC
- 4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholine
- English name
- Fomocaine
- Molecular formula
- C20H25NO2
- Molecular weight
- 311.42
Names & synonyms
FomocaineFomocain17692-39-6FomocainaFomocainum4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholineDTXSID00462224XO7A09HQMpanacainDTXCID80262224-{3-[4-(phenoxymethyl)phenyl]propyl}morpholine4-(3-(4-(Phenoxymethyl)phenyl)propyl)morpholine
Show more names
P-652p-FomocaineMorpholine, 4-[3-[4-(phenoxymethyl)phenyl]propyl]-
RefChem:141165626-114-6NCGC00160547-01P 652ErbocainSMR000718661Fomocaina [DCIT]CAS-17692-39-6
Database identifiers
- CAS
17692-39-6- PubChem CID
- 71693
- DTXSID
DTXSID0046222- ChEMBL
CHEMBL1407844- ChEBI
CHEBI:135329- UNII
- 4XO7A09HQM
- EC Number
- 626-114-6
- Nikkaji
- J10.156G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 52 · 52-53°
- Boiling point
- 1.1 · bp1.1 238-240°
- Density
- 1.0899 · 1.0899 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- 7.44 · 7.44±0.10(Predicted)
- color
- Crystals from pet ether
- FDA UNII
- 4 XO7A09HQM · 4XO7A09HQM
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H318-H302-H400
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
- Toxicity
- 50 i.v · LD50 i.v. in mice: 175 mg/kg (Nieschulz)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 i.v. in mice: 175 mg/kg (Nieschulz)
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H317-H318-H302-H400
- Precautionary statements
- P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Fomocaine is an amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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