Methyl 2-amino-4-[1,1'-biphenyl]-4-yl-3-thiophenecarboxylate
Basic information
- CAS
350997-16-9- Standard SMILES
COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1N- InChIKey
JAEKOCDAFWCYBZ-UHFFFAOYSA-N- Molecular formula
- C18H15NO2S
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.08234989
Names & identifiers
- Preferred name
- Methyl 2-amino-4-[1,1'-biphenyl]-4-yl-3-thiophenecarboxylate
- IUPAC
- methyl 2-amino-4-(4-phenylphenyl)thiophene-3-carboxylate
- English name
- 2-AMINO-4-BIPHENYL-4-YL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C18H15NO2S
- Molecular weight
- 309.38
Names & synonyms
350997-16-9methyl 2-amino-4-[1,1'-biphenyl]-4-yl-3-thiophenecarboxylateMethyl 2-amino-4-(1,1'-biphenyl)-4-yl-3-thiophenecarboxylateRefChem:354026methyl 2-amino-4-(1,1'-biphenyl-4-yl)thiophene-3-carboxylatemethyl 2-amino-4-(4-phenylphenyl)thiophene-3-carboxylateMethyl 4-([1,1'-biphenyl]-4-yl)-2-aminothiophene-3-carboxylateMFCD01923833methyl 2-amino-4-{[1,1'-biphenyl]-4-yl}thiophene-3-carboxylate2-Amino-4-biphenyl-4-yl-thiophene-3-carboxylic acid methyl estermethyl 2-amino-4-(biphenyl-4-yl)thiophene-3-carboxylateMethyl 2-amino-4-([1,1'-biphenyl]-4-yl)thiophene-3-carboxylate
Show more names
3-Thiophenecarboxylic acid, 2-amino-4-[1,1'-biphenyl]-4-yl-, methyl ester
AK-968/15360108DTXSID301184767ALBB-001694BBL017161STK441541AKOS003270423VS-05906CS-0301878
Database identifiers
- CAS
350997-16-9- PubChem CID
- 2756367
- DTXSID
DTXSID301184767
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 500.7 · 500.7±50.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- pka
- -0.23 · -0.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Compound notes
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