N-Boc-L-Leucine Hydrate
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Basic information
- CAS
200936-87-4- Standard SMILES
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.O- InChIKey
URQQEIOTRWJXBA-QRPNPIFTSA-N- Molecular formula
- C11H23NO5
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.15762284
Names & identifiers
- Preferred name
- N-Boc-L-Leucine Hydrate
- IUPAC
- (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
- English name
- N-(tert-Butoxycarbonyl)-L-leucine
- Molecular formula
- C11H23NO5
- Molecular weight
- 249.30402
Names & synonyms
N-Boc-L-leucine hydrateRefChem:829342692-149-9200936-87-4BOC-LEU-OH H2O(S)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid hydrateBoc-L-Leucine hydrateMFCD00065582L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)Boc-Leu-OH.H2OC11H23NO5Boc-Leu-OH inverted exclamation mark currencyH2O
Show more names
Boc-Leu-OH . HON-BOC-L-Leucine.H2OValine Impurity 161L-Leucine-d7-N-t-BOC H2OL-Leucine-d3-N-t-BOC H2OBoc-Leu-OH. HO NovabiochemBOC-LEU-OH MIDDOT H2O 100 G-4-methylpentanoic acid hydrateBOC-L-Leucine monohydrate, 99+%(Tert-Butoxy)Carbonyl Leu-OH·H2O
N-(tert-Butoxycarbonyl)-L-leucine monohydratet-butoxycarbonyl-l-leucine hydrateAKOS015923284N-(tert-butoxycabonyl)-L-leucine monohydrateN-t-butoxycarbonyl-(L)-leucine mono-hydrate(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid hydrateBoc-Leu-OHH2O
Database identifiers
- CAS
200936-87-4- PubChem CID
- 12373896
- DTXSID
DTXSID001378343- ChEMBL
CHEMBL1222168- EC Number
- 692-149-9
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 85 · 85-87 °C(lit.)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- almost transparency in Acetic acid
- form
- Shiny Crystalline Powder
- color
- White
- Major Application
- peptide synthesis
- InChI
- InChI=1/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/s3
- InChIKey
- MDXGYYOJGPFFJL-SBYBRXNCNA-N
- SMILES
- C(O)(=O)[C@H](CC(C)C)NC(OC(C)(C)C)=O |&1:3,r|
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Safety Statements
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- hs_code
- 2924 19 00
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Applications
Usespeptide synthesis
General DescriptionThe product number for this product was previously 04-12-0005.To obtain a certificate of analysis (CoA) of a lot that begins with the letter “A”, please select the option in the right hand menu “Request a COA for Lot#s starting with A”.
Related reactions
73 records
Compound notes
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