Basic information
- CAS
106391-88-2- Standard SMILES
CC(C)C(C=O)NC(=O)OC(C)(C)C- InChIKey
YMNBXYLOSIKZGL-UHFFFAOYSA-N- Molecular formula
- C10H19NO3
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.13649347
Names & identifiers
- Preferred name
- Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate
- IUPAC
- tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
- English name
- tert-Butyl [(1R)-1-formyl-2-methylpropyl]carbamate
- Molecular formula
- C10H19NO3
- Molecular weight
- 201.26
Names & synonyms
tert-butyl 3-methyl-1-oxobutan-2-ylcarbamateDTXSID80338035RefChem:383419DTXCID10289122106391-88-2140171-27-3tert-Butyl (3-methyl-1-oxobutan-2-yl)carbamatetert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamateN-Boc-2(S)-2-amino-3-methyl-butanalSCHEMBL1219074SCHEMBL1991716YMNBXYLOSIKZGL-UHFFFAOYSA-N
Show more names
1,1-Dimethylethyl N-[(1R)-1-formyl-2-methylpropyl]carbamateN-Boc-D-valinalBoc-D-Val-aldehyde(R)-2-(Boc-amino)-3-methylbutanalN-BOC-2(R)-2-AMINO-3-METHYL-BUTANAL(R)-tert-butyl 3-methyl-1-oxobutan-2-ylcarbamatetert-Butyl [(1R)-1-formyl-2-methylpropyl]carbamateTERT-BUTYL (R)-(3-METHYL-1-OXOBUTAN-2-YL)CARBAMATEtert-butyl N-[(2R)-3-methyl-1-oxobutan-2-yl]carbamateN-[(1R)-1-formyl-2-methylpropyl]aminomacetic acidtertbutyl ester
MFCD12031717AB05865SB48232Boc-Val-PAM resin (200-400 mesh)DA-10658FB111654CS-0433179F80344
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 278.2 · 278.2±23.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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 (100%): 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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers21 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
石家庄手性化学有限公司031185291771 13832391721 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Related reactions
10 records
Compound notes
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