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Ac-His-NHMe

CAT: 0121-4017306.0250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0121-4017306.0250Size:250 mg
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CAS Number
6367-11-9
Specifications
E-1070.0250
Sequence
Ac-His-NHMe
Molecular Formula
C₉H₁₄N₄O₂
Molecular Weight
210.24
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

1H-Imidazole-4-propanamide, alpha-(acetylamino)-N-methyl-, (S)-
CAS Number6367-11-9
PubChem CID145862
IUPAC Name(2S)-2-acetamido-3-(1H-imidazol-5-yl)-N-methylpropanamide
Molecular FormulaC9H14N4O2
Molecular Weight210.23
XLogP-0.9
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
CC(=O)N[C@@H](CC1=CN=CN1)C(=O)NC
InChI
InChI=1S/C9H14N4O2/c1-6(14)13-8(9(15)10-2)3-7-4-11-5-12-7/h4-5,8H,3H2,1-2H3,(H,10,15)(H,11,12)(H,13,14)/t8-/m0/s1
InChIKey
XWLRQKZOVSBKSE-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazole-4-propanamide, alpha-(acetylamino)-N-methyl-, (S)-
CAS: 6367-11-9
CID: 145862
Formula: C9H14N4O2
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass210.11167570
Monoisotopic Mass210.11167570
Topological Polar Surface Area86.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
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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