Basic information
- CAS
7154-27-0- Standard SMILES
CC(C)CC(Br)C(=O)NCC(=O)O- InChIKey
PTUKJDOWJCFIBV-UHFFFAOYSA-N- Molecular formula
- C8H14BrNO3
- Average molar mass
- 252.11 g/mol
- Monoisotopic mass
- 251.01571
Names & identifiers
- Preferred name
- D,L-2-Bromoisocaproylglycine
- IUPAC
- 2-[(2-bromo-4-methylpentanoyl)amino]acetic acid
Names & synonyms
D,L-2-BROMOISOCAPROYLGLYCINERefChem:581469635-888-4N-(DL-BROMO-4-METHYLVALERYL)GLYCINE7154-27-0(1)-N-(2-Bromo-4-methyl-1-oxopentyl)-glycine2-[(2-bromo-4-methylpentanoyl)amino]acetic acid90154-56-6NSC73474EINECS 230-503-2PTUKJDOWJCFIBV-UHFFFAOYSA-NDTXSID201280128
Show more names
NSC 73474NSC-73474NSC163093AKOS024332145N-(2-Bromo-4-methylpentanoyl)glycineNSC-163093N-(2-Bromo-4-methyl-1-oxopentyl)glycineDS-012671
Database identifiers
- CAS
7154-27-0、90154-56-6- PubChem CID
- 98063
- DTXSID
DTXSID201280128- EC Number
- 230-503-2、635-888-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…