N-Boc-L-Leucine Hydrate

HCID 12373896CAS 200936-87-4

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Basic information

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 properties

Topological polar surface area: 76.6 Å²
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: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 2924 · 2924 19 00
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

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”.