Basic information
- Standard SMILES
CC(O)C(NC(=O)OC(C)(C)C)C(=O)O- InChIKey
LLHOYOCAAURYRL-UHFFFAOYSA-N- Molecular formula
- C9H17NO5
- Average molar mass
- 219.23 g/mol
Names & identifiers
- Preferred name
- N-(tert-butyloxycarbonyl)-L-threonine
- IUPAC
- 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Names & synonyms
N-(tert-Butyloxycarbonyl)-L-threonineEINECS 219-987-6NSC 334305RefChem:362943219-987-62592-18-9Boc-D-Threonine2226362-28-12-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acidN-(tert-Butoxycarbonyl)-D-threonineN-Boc-D-threonineNSC334305
Show more names
SCHEMBL693616t-butyoxycarbonyl-DL-threonine2-(tert-butoxycarbonylamino)-3-hydroxy-butanoic acidtert-Butoxycarbonyl-L-threonineN-t-butoxycarbonyl-DL-threonineN-(tert-Butoxycarbonyl)threonineDTXSID40948836L-N-(tert-Butoxycarbonyl)threonine
Database identifiers
- CAS
2592-18-9- PubChem CID
- 100116
- DTXSID
DTXSID40948836- EC Number
- 219-987-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.
Warning
H315 (42.9%): 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)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 04-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28413
Hazard Classes and CategoriesSkin Irrit. 2 (42.9%)
Related reactions
14 records
Linked notes
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