Glutaranilic acid
Basic information
- CAS
5414-99-3- Standard SMILES
O=C(O)CCCC(=O)Nc1ccccc1- InChIKey
NUDGFGBJFZEEEJ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- Glutaranilic acid
- IUPAC
- 5-anilino-5-oxopentanoic acid
- English name
- Glutaranilic acid
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
Glutaranilic acid5414-99-3DTXSID70279004RefChem:143699DTXCID20230160NUDGFGBJFZEEEJ-UHFFFAOYSA-N5-oxo-5-(phenylamino)pentanoic acid5-anilino-5-oxopentanoic acid4-(phenylcarbamoyl)butanoic acidCHEMBL3564435-anilino-5-oxo-pentanoic acidMFCD00021788
Show more names
TIMTEC-BB SBB007722Glutaranilicacid,97%N-PHENYLGLUTARAMIC ACID4-(phenylcarbamoyl)butyric acidPentanedioic acid mono(N-phenyl)amidePentanoic acid, 5-oxo-5-(phenylamino)-
4-(N-phenylcarbamoyl)butanoic acidCBMicro_009088CBKinase1_002320CBKinase1_014720Oprea1_7924264-Phenylcarbamoyl-butyric acidSCHEMBL3806017SCHEMBL6290640
Database identifiers
- CAS
5414-99-3- PubChem CID
- 223386
- DTXSID
DTXSID70279004- ChEMBL
CHEMBL356443- EC Number
- 676-529-1
- Nikkaji
- J308.124I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 126 · 126-127°C
- Boiling point
- 478.5 · 478.5±28.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.66 · 4.66±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 2807261 · 2807261
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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