Basic information
- CAS
169870-82-0- Standard SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)C- InChIKey
LRFZIPCTFBPFLX-UHFFFAOYSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
Names & identifiers
- Preferred name
- 2-{[(Tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid
- IUPAC
- 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- N-Boc-t-butylglycine
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid2-(((tert-butoxy)carbonyl)amino)-3,3-dimethylbutanoic acidRefChem:447078825-875-3169870-82-0Boc-Dl-Tle-Oh102185-35-32-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acidN-Boc-t-butylglycineMFCD000577822-tert-butoxycarbonylamino-3,3-dimethyl-butyric acid3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid
Show more names
RMA-359DL-Boc-tert-leucineNirmatrelvir Impurity 57N-α-(t-Butoxycarbonyl)-DL-tert-leucineN-[(1,1-Dimethylethoxy)carbonyl]-3-methylvalineValine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-[(tert-Butoxycarbonyl)amino](tert-butyl)acetic acid
N-Boc-DL-tert-leucine2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoic acidboc-tbu-dl-gly-ohBOC-D-ALPHA-T-BUTYLGLYCINEboc-dl-tert-leucineBoc-DL-alpha-tert-butyl-Gly-OHBoc-L-alpha-t-butylglycineBoc-DL-alpha-tert-butylglycine
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 350 · 350.0±25.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.03 · 4.03±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
- HS Code
- 2924190090 · 2924190090
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%)
Safety data
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesN-boc-tert-Butylglycine is a reactant in the synthesis of N-1-Alkyl-2-oxo-2-aryl amides as antagonists of the TRPA1 receptor.
Upstream & downstream products
Downstream products
Suppliers38 total
上海康恩博医药科技有限公司17510465506 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州希辰曦生物科技有限公司13000000000 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.
Related reactions
37 records
Compound notes
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