Basic information
- CAS
126074-82-6- Standard SMILES
CC(C)(C)OC(=O)NCCC(=O)NCCC(=O)O- InChIKey
UAFBXOICOJEVCQ-UHFFFAOYSA-N- Molecular formula
- C11H20N2O5
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.13722174
Names & identifiers
- Preferred name
- 3-(3-{[(Tert-butoxy)carbonyl]amino}propanamido)propanoic acid
- IUPAC
- 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
Names & synonyms
126074-82-63-(3-{[(tert-butoxy)carbonyl]amino}propanamido)propanoic acid3-(3-Boc-aminopropanamido)propanoic acidSCHEMBL5041833UAFBXOICOJEVCQ-UHFFFAOYSA-NMFCD24445067EN300-3153683-(3-tert-butoxycarbonylamino-propionylamino)-propionic acid
Database identifiers
- CAS
126074-82-6- PubChem CID
- 11425445
- EC Number
- 113-617-6
- Nikkaji
- J1.785.796G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
2 records
Compound notes
Loading…