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Z-L-Val-CHN2

CAT: 0024-sc-296832Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-296832Size:100 mg
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CAS Number
90105-46-7

Chemical Information

N-alpha-Benzyloxycarbonyl-L-valinyl-diazomethane
CAS Number90105-46-7
PubChem CID98617893
IUPAC Namebenzyl N-[(3S)-1-diazo-4-methyl-2-oxopentan-3-yl]carbamate
Molecular FormulaC14H17N3O3
Molecular Weight275.30
XLogP2.6
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity383
SMILES
CC(C)[C@@H](C(=O)C=[N+]=[N-])NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C14H17N3O3/c1-10(2)13(12(18)8-16-15)17-14(19)20-9-11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKey
NIIBDMUKFRCROU-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of N-alpha-Benzyloxycarbonyl-L-valinyl-diazomethane
CAS: 90105-46-7
CID: 98617893
Formula: C14H17N3O3
MW: 275.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.30
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass275.12699141
Monoisotopic Mass275.12699141
Topological Polar Surface Area57.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes