Basic information
- CAS
106556-64-3- Standard SMILES
COC(=O)CCNC(C)(C)C(=O)OC- InChIKey
RSWMHAKZMAPORV-UHFFFAOYSA-N- Molecular formula
- C9H17NO4
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11575802
Names & identifiers
- Preferred name
- N-(3-Methoxy-3-oxopropyl)-2-methylalanine methyl ester
- IUPAC
- methyl 2-[(3-methoxy-3-oxopropyl)amino]-2-methylpropanoate
Names & synonyms
106556-64-3METHYL 2-[(3-METHOXY-3-OXOPROPYL)AMINO]-2-METHYLPROPANOATEMethyl 2-((3-methoxy-3-oxopropyl)amino)-2-methylpropanoateDTXSID101210885N-(3-Methoxy-3-oxopropyl)-2-methylalanine methyl esterRefChem:826623DTXCID701642252873-719-8Alanine, N-(3-methoxy-3-oxopropyl)-2-methyl-, methyl esterMFCD23699340SCHEMBL1188784RSWMHAKZMAPORV-UHFFFAOYSA-N
Show more names
AKOS027473597SY521576EN300-748979G56676Methyl N-(3-methoxy-3-oxopropyl)-2-methylalaninatemethyl 2-methyl-N-[3-(methyloxy)-3-oxopropyl]alaninate
Database identifiers
- CAS
106556-64-3- PubChem CID
- 13601736
- DTXSID
DTXSID101210885- EC Number
- 873-719-8
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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