2-(Carbamoylamino)propanoic acid
Basic information
- CAS
77340-50-2- Standard SMILES
CC(NC(N)=O)C(=O)O- InChIKey
LUSWEUMSEVLFEQ-UHFFFAOYSA-N- Molecular formula
- C4H8N2O3
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.05349212
Overview
N-carbamoylalanine is a N-carbamoyl-amino acid.
Names & identifiers
- Preferred name
- 2-(Carbamoylamino)propanoic acid
- IUPAC
- 2-(carbamoylamino)propanoic acid
- English name
- CARBAMOYL-DL-ALA-OH
- Molecular formula
- C4H8N2O3
- Molecular weight
- 132.12
Names & synonyms
2-(carbamoylamino)propanoic acidRefChem:460108832-468-4CARBAMOYL-DL-ALA-OH77340-50-22-Ureidopropanoic acidDL-2-Ureidopropionic acidN-carbamoylalanineMFCD00037445N-Carbamyl-DL-alanineCarbamoyl-DL-alanineOprea1_557837
Show more names
N-α-Carbamoyl-DL-alanineAlanine, N-(aminocarbonyl)-Alanine, N-(aminocarbonyl)- (9CI)N-carbamyl-dl-alanine crystalline
SCHEMBL594482DTXSID40330095CHEBI:2329562-(aminocarbonylamino)propanoic acidSTL373946AKOS000264034AKOS016879473NCGC00341966-01
Database identifiers
- CAS
77340-50-2- PubChem CID
- 426409
- DTXSID
DTXSID40330095- ChEBI
CHEBI:232956- EC Number
- 832-468-4
- Nikkaji
- J2.017.728D
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 244.01 °C · 244.01°C (rough estimate)
- Density
- 1.4207 · 1.4207 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- storage temp.
- 20 °C · −20°C
- Melting point
- 157 °C · 157 °C
- pka
- 3.89 · 3.89±0.10(Predicted)
- Water Solubility
- 25.5 g/L · 25.5g/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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