D,L-Bromoisovalerylglycine
Basic information
- CAS
52574-83-1- Standard SMILES
CC(C)C(Br)C(=O)NCC(=O)O- InChIKey
JDPOKKNSGDLJEF-UHFFFAOYSA-N- Molecular formula
- C7H12BrNO3
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 237.00006
Names & identifiers
- Preferred name
- D,L-Bromoisovalerylglycine
- IUPAC
- 2-[(2-bromo-3-methylbutanoyl)amino]acetic acid
Names & synonyms
D,L-BROMOISOVALERYLGLYCINERefChem:581473654-732-652574-83-12-(2-Bromo-3-methylbutanamido)acetic acid6940-46-12-[(2-bromo-3-methylbutanoyl)amino]acetic acidNSC1631382-(4-Bromo-3-methylbutanamido)acetic acidNSC-163138NSC60132EINECS 230-082-5
Show more names
a-Bromisovalerylglycin(1)-N-(2-Bromo-3-methyl-1-oxobutyl)-glycineCHEMBL1966881SCHEMBL11800572JDPOKKNSGDLJEF-UHFFFAOYSA-NDTXSID401282370NSC 60132NSC-60132
Database identifiers
- CAS
52574-83-1、6940-46-1- PubChem CID
- 97928
- DTXSID
DTXSID401282370- ChEMBL
CHEMBL1966881- EC Number
- 230-082-5、654-732-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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