2-(Carbamoylamino)-2-methylpropanoic acid
Basic information
- CAS
38605-63-9- Standard SMILES
CC(C)(NC(N)=O)C(=O)O- InChIKey
FMXWPTBQTITILA-UHFFFAOYSA-N- Molecular formula
- C5H10N2O3
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.06914219
Names & identifiers
- Preferred name
- 2-(Carbamoylamino)-2-methylpropanoic acid
- IUPAC
- 2-(carbamoylamino)-2-methylpropanoic acid
- English name
- N-CARBAMYL-ALPHA-AMINO-ISOBUTYRIC ACID
- Molecular formula
- C5H10N2O3
- Molecular weight
- 146.14
Names & synonyms
38605-63-92-(carbamoylamino)-2-methylpropanoic acidn-carbamyl-alpha-amino-isobutyric acidN-Carbamoyl-2-methylalanineSCHEMBL1132708DTXSID10400017FMXWPTBQTITILA-UHFFFAOYSA-NEX-A15449DN-carbamoyl-|A-aminoisobutyric acidN-Carbamyl-alpha-aminoisobutyric acidAKOS010514124N-(AMINOCARBONYL)-2-METHYLALANINE
Show more names
SALOR-INT L159352-1EAAcetylcysteine Impurity 3742-methyl-2-ureidopropionic acidn-carbamyl-α-aminoisobutyric acidN-carbamoyl-α-aminoisobutyric acidN-carbamyl-A-amino-isobutyric acidAlanine, N-(aminocarbonyl)-2-methyl-Alanine, N-(aminocarbonyl)-2-methyl- (9CI)
N-carbamoyl-2-amino-2-methyl propionic acidST510371822-(aminocarbonylamino)-2-methylpropanoic acid
Database identifiers
- CAS
38605-63-9- PubChem CID
- 4155322
- DTXSID
DTXSID10400017- EC Number
- 622-733-0
- Nikkaji
- J1.453.712K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 228 · 228-229 °C
- Boiling point
- 300.093 · 300.093±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.009 · 4.009±0.10(predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- 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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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