Basic information
- CAS
32677-01-3- Standard SMILES
CC(C)(C)OC(=O)CC[C@H](N)C(=O)OC(C)(C)C.Cl- InChIKey
LFEYMWCCUAOUKZ-FVGYRXGTSA-N- Molecular formula
- C13H26ClNO4
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.15503599
Names & identifiers
- Preferred name
- Di-tert-butyl glutamate hydrochloride
- IUPAC
- ditert-butyl (2S)-2-aminopentanedioate;hydrochloride
- English name
- L-Glutamic acid di-tert-butyl ester hydrochloride
- Molecular formula
- C13H26ClNO4
- Molecular weight
- 295.8
Names & synonyms
Di-tert-butyl Glutamate HydrochlorideRefChem:58610632677-01-3L-Glutamic acid di-tert-butyl ester hydrochlorideH-Glu(OtBu)-OtBu.HClH-GLU(OTBU)-OTBU HCLMFCD00058003ditert-butyl (2S)-2-aminopentanedioate;hydrochloridedi-tert-butyl L-glutamate hydrochlorideditert-butyl (2S)-2-aminopentanedioate hydrochlorideL-Glutamic acid, bis(1,1-dimethylethyl)ester, hydrochlorideH-Glu(OtBu)-OtBu (hydrochloride)
Show more names
Glu(OtBu)-OtBuGLU(OTBU)-OTBU.HCLH-GLU(OBUT)-OBUT·HCLH-L-Glu(TbuL-Glu(OBu)2.HClH-Glu(OBut)-OButGlu(OtBu)-OtBuCl
(S)-DI-TERT-BUTYL 2-AMINOPENTANEDIOATE HCLglutamic acid di-t-butyl ester hydrochloride[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]azanium;chlorideH-Glu(OtBu)-OtBu inverted exclamation mark currencyHClNSC 946811,5-di-tert-butyl (2S)-2-aminopentanedioate hydrochlorideL-glutamic acid di-t-butyl ester hydrochlorideM02970
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 133 · 133-135 °C
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in methanol (50gmg/ml).
- form
- Solid
- color
- White to Off-White
- BRN
- 3573738 · 3573738
- CAS DataBase Reference
- 32677 · 32677-01-3(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- RTECS
- 880000 · MA0880000
- HS Code
- 29224999 · 29224999
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- rtecs
- MA0880000
- hs_code
- 29224999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesL-Glutamic acid di-tert-butyl ester may be useful in the synthesis of substance P antagonistic peptides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
温州共赢化学有限公司
Related reactions
9 records
Compound notes
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