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Basic information
- CAS
500895-47-6- Standard SMILES
COC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C- InChIKey
IWFIVTBTZUCTQH-UHFFFAOYSA-N- Molecular formula
- C10H17NO6
- Average molar mass
- 247.24 g/mol
- Monoisotopic mass
- 247.10558726
Names & identifiers
- Preferred name
- 3-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid
- IUPAC
- 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Names & synonyms
500895-47-63-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acidN-Boc-DL-aspartic acid 1-methyl esteralpha-methyl N-(tert-butoxycarbonyl)aspartateSCHEMBL2860662IWFIVTBTZUCTQH-UHFFFAOYSA-NPD197029EN300-15893183-(tert-butoxycarbonylamino)-4-methoxy-4-oxo-butanoic acid3-[(t-butoxycarbonyl)amino]-4-methoxy-4-oxobutanoic acid3-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid
Database identifiers
- CAS
500895-47-6- PubChem CID
- 14258702
- EC Number
- 166-613-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
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%)
Chemistry & industry
Suppliers3 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
4 records
Compound notes
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