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Boc-His (3-Me) -OH

CAT: 0121-4011125.0250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0121-4011125.0250Size:250 mg
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CAS Number
61070-22-2
Specifications
A-2565.0250
Synonyms
Boc-His (π-Me) -OH
Sequence
Boc-His (3-Me) -OH
Molecular Formula
C₁₂H₁₉N₃O₄
Molecular Weight
269.30
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Boc-his(3-ME)-OH
CAS Number61070-22-2
PubChem CID7018763
IUPAC Name(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC12H19N3O4
Molecular Weight269.30
XLogP0.6
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity340
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1C)C(=O)O
InChI
InChI=1S/C12H19N3O4/c1-12(2,3)19-11(18)14-9(10(16)17)5-8-6-13-7-15(8)4/h6-7,9H,5H2,1-4H3,(H,14,18)(H,16,17)/t9-/m0/s1
InChIKey
BGZFLUIZBZNCTI-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Boc-his(3-ME)-OH
CAS: 61070-22-2
CID: 7018763
Formula: C12H19N3O4
MW: 269.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.30
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass269.13755610
Monoisotopic Mass269.13755610
Topological Polar Surface Area93.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR36357-01Boc-His (3-Me) -OH Boc-His (p-Me) -OH
sc-293784Boc-His (3-Me) -OH
OR36383-01Boc-D-His (3-Me) -OH Boc-D His (p-Me) -OH
OR36466-01Boc-His (1-Me) -OH Boc-His (t-Me) -OH
sc-285142ABoc-D-His (3-Me) -OH
OR36384-01Boc-D-His (1-Me) -OH Boc-D-His (t-Me) -OH
236298-01Boc-His (3-Me) -OH 99+% (HPLC)
CSB-DT2229Boc-His (1-Me) -OH
MBS9022721-01Boc-His(1-Me)-OH
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