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Home Other Building Blocks H-His(1-me)-ome hcl

H-His(1-me)-ome hcl

CAS No.:
57519-09-2
Catalog Number:
AG003T7U
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$170
- +
250mg
1 week
United States
$294
- +
1g
1 week
United States
$550
- +
Product Description
Catalog Number:
AG003T7U
Chemical Name:
H-His(1-me)-ome hcl
CAS Number:
57519-09-2
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD17976858
IUPAC Name:
methyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate
InChI:
InChI=1S/C8H13N3O2/c1-11-4-6(10-5-11)3-7(9)8(12)13-2/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1
InChI Key:
PQEAVIKJSKOOHN-ZETCQYMHSA-N
SMILES:
COC(=O)[C@H](Cc1ncn(c1)C)N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Desymmetrization of meso-1,2-diols via the dynamic kinetic resolution of its monodichloroacetates. The Journal of organic chemistry 20100604
Kinetic resolution of racemic alcohols using thioamide modified 1-methyl-histidine methyl ester. The Journal of organic chemistry 20081107
Properties