Basic information
- CAS
2166009-21-6- Standard SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)O)O1- InChIKey
IJMIYSXHHOKJEZ-SFYZADRCSA-N- Molecular formula
- C11H19NO5
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.12632271
Names & identifiers
- Preferred name
- (2S,6R)-4-((tert-butoxy)carbonyl)-6-methylmorpholine-2-carboxylic acid
- IUPAC
- (2S,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
- English name
- (2S,6R)-4-(tert-butoxycarbonyl)-6-methylmorpholine-2-carboxylic acid
- Molecular formula
- C11H19NO5
- Molecular weight
- 245.27
Names & synonyms
2166009-21-6(2S,6R)-4-[(tert-butoxy)carbonyl]-6-methylmorpholine-2-carboxylic acid(2S,6R)-4-((tert-butoxy)carbonyl)-6-methylmorpholine-2-carboxylic acidRefChem:399063872-384-5(2S,6R)-4-(tert-butoxycarbonyl)-6-methylmorpholine-2-carboxylic acid(2S,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acidSCHEMBL40081404AT15836EN300-1071326EN300-1589945(2S,6R)-4-Boc-6-methylmorpholine-2-carboxylic acid
Show more names
2,4-Morpholinedicarboxylic acid, 6-methyl-, 4-(1,1-dimethylethyl) ester, (2S,6R)-
Database identifiers
- CAS
2166009-21-6- PubChem CID
- 124708356
- EC Number
- 872-384-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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