Methyl 4-anilinocarbonylbenzoate
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Basic information
- CAS
3814-10-6- Standard SMILES
COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1- InChIKey
XTAGEOVGQDJRIC-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Overview
See also: Methyl 4-(N-phenylcarbamoyl)benzoate (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 4-anilinocarbonylbenzoate
- IUPAC
- methyl 4-(phenylcarbamoyl)benzoate
- English name
- Methyl 4-(N-phenylcaramoyl)benzoate
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
Methyl 4-anilinocarbonylbenzoateDTXSID30405509RefChem:1089463DTXCID50356362methyl 4-(phenylcarbamoyl)benzoate3814-10-6Methyl 4-(N-phenylcaramoyl)benzoateMFCD00157832Benzoic acid, 4-[(phenylamino)carbonyl]-, methyl esterMethyl 4-(N-phenylcaramoyl)benzoatemethyl 4-(anilinocarbonyl)benzoateAKOS001302678
Show more names
BA-MMTN-phenyl-p-carbomethoxybenzamideMETHYL 4-(N-PHENYLCARBAMOYL)BENZOATEMethyl 4-(Phenylcarbamoyl)benzoate >4-(Phenylcarbamoyl)benzoic Acid Methyl Ester4-[(phenylamino)carbonyl]Benzoic acid methyl ester
AC-24893SCHEMBL2835923methyl4-(phenylcarbamoyl)benzoateMethyl 4-(N-Phenylcarbomoyl)benzoCS-W012576DS-10481DB-0578374-(phenyl-carbamoyl)-benzoic acid methyl ester
Database identifiers
- CAS
3814-10-6- PubChem CID
- 4682178
- DTXSID
DTXSID30405509- Nikkaji
- J590.250I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 193 ℃ · 193℃
- Density
- 1.237 · 1.237
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 3814 · 3814-10-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2924.29 · 2924.29.7790
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
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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