Basic information
- CAS
881398-68-1- Standard SMILES
C=CCN(CCC(=O)OC)C(=O)OC(C)(C)C- InChIKey
HRDFVJTVCHNIDL-UHFFFAOYSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.14705815
Names & identifiers
- Preferred name
- Methyl 3-{[(tert-butoxy)carbonyl](prop-2-en-1-yl)amino}propanoate
- IUPAC
- methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
Names & synonyms
881398-68-1methyl 3-{[(tert-butoxy)carbonyl](prop-2-en-1-yl)amino}propanoatemethyl 3-(((tert-butoxy)carbonyl)(prop-2-en-1-yl)amino)propanoateRefChem:814697996-071-9SCHEMBL23624143EN300-12453406Methyl 3-(allyl(tert-butoxycarbonyl)amino)propanoate, AldrichCPR
Database identifiers
- CAS
881398-68-1- PubChem CID
- 11680321
- EC Number
- 996-071-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
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]
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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