tert-butyl 4-((2R)-2-tert-butoxycarbonylamino-2-carboxy-ethyl)-1H-imidazole-1-carboxylate
Basic information
- CAS
75498-93-0- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)O- InChIKey
IXHPIPUIOSSAIS-LLVKDONJSA-N- Molecular formula
- C16H25N3O6
- Average molar mass
- 355.39 g/mol
- Monoisotopic mass
- 355.17433553
Names & identifiers
- Preferred name
- tert-butyl 4-((2R)-2-tert-butoxycarbonylamino-2-carboxy-ethyl)-1H-imidazole-1-carboxylate
- IUPAC
- (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
- English name
- Boc-D-His(Boc)-OH
- Molecular formula
- C16H25N3O6
- Molecular weight
- 355.39
Names & synonyms
75498-93-0tert-butyl 4-((2R)-2-tert-butoxycarbonylamino-2-carboxy-ethyl)-1H-imidazole-1-carboxylateRefChem:893528688-126-8BOC-D-HIS(BOC)-OHN,1-Bis-Boc-D-histidine(R)-3-(1-(tert-Butoxycarbonyl)-1H-imidazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD00270720N,1-Bis[(1,1-dimethylethoxy)carbonyl]-D-histidineD-Histidine, N,1-bis[(1,1-dimethylethoxy)carbonyl]-C16H25N3O6(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
Show more names
Boc-D-His(Boc)Nα,Nim-Bis-Boc-D-histidine benzene1,Nα-bis-tert-butoxycarbonyl-histidinena,nt-bis(tert-butoxycarbonyl)-d-histidineN-ALPHA,N-IM-DI-T-BUTOXYCARBONYL-D-HISTIDINE
Nalpha,Nim-Bis-Boc-D-histidine benzeneHJH9T9N6N8SCHEMBL13650201Boc-D-His(Boc)-OH toluene solvateAKOS027338209FD21736AS-49189FB111250
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Density
- 1.228 · 1.228±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.099 · 3.099±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H372-H340-H350
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P270-P314-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H315-H319-H372-H340-H350
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P270-P314-P501
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Related reactions
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Compound notes
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