(2S)-2-[(furan-2-yl)formamido]propanoic acid
Basic information
- CAS
462599-69-5- Standard SMILES
C[C@H](NC(=O)c1ccco1)C(=O)O- InChIKey
VNYWJRJEGHPIQW-YFKPBYRVSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- (2S)-2-[(furan-2-yl)formamido]propanoic acid
- IUPAC
- (2S)-2-(furan-2-carbonylamino)propanoic acid
- English name
- (2S)-2-(Furan-2-ylformamido)propanoic Acid
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
462599-69-5(2S)-2-[(Furan-2-yl)formamido]propanoic acid(2S)-2-((furan-2-yl)formamido)propanoic acidRefChem:398074996-689-9(2S)-2-(furan-2-ylformamido)propanoic acid(2S)-2-(2-furoylamino)propanoic acid(2S)-2-(furan-2-carbonylamino)propanoic acidFuroylalaninAKOS001065072AKOS015855698CS-0263498
Show more names
L-Alanine, N-(2-furanylcarbonyl)-
EN300-87524(2S)-2-[(Furan-2-yl)formamido]propanoicacidG27464
Database identifiers
- CAS
462599-69-5- PubChem CID
- 792932
- EC Number
- 996-689-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 446.3 · 446.3±25.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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