Methyl L-valinate 50mg

CAT: 0628-A23768-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A23768-50Size:50 mg

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CAS Number

4070-48-8

Chemical Information

Valine methyl ester

sex pheromone of Phyllophaga (Phytalus) georgiana

CAS Number	4070-48-8
PubChem CID	94285
IUPAC Name	methyl (2S)-2-amino-3-methylbutanoate
Molecular Formula	C6H13NO2
Molecular Weight	131.17
XLogP	0.6
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	101

SMILES

CC(C)[C@@H](C(=O)OC)N

InChI

InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1

InChIKey

CEMZBWPSKYISTN-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 4070-48-8

CID: 94285

Formula: C6H13NO2

MW: 131.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.17
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	131.094628657
Monoisotopic Mass	131.094628657
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A23768-250	Methyl L-valinate 250mg
A23768-1000	Methyl L-valinate 1g
A23768-500	Methyl L-valinate 500mg
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A23768-100	Methyl L-valinate 100mg
A21367-50	L, L-Dityrosine 50mg
A23212-25	Benzyl ethyl-L-valinate hydrochloride 25mg
A18749-50	L-Palmitoylcarnitine 50mg
A17926-50	L-SelenoMethionine 50mg
A21576-50	L-NIL 50mg

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