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L-NIO dihydrochloride

CAT: 0607-B6345-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6345-10Size:10 mg
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Description
inhibitor of nitric oxide (NO) synthase
CAS Number
159190-44-0
Product Name Alternative
(S,E)-2-amino-5-((1-aminoethylidene)amino)pentanoic acid dihydrochloride
Field of Research
PI3K Akt mTOR Signaling eNOS
Purity
0.98
Form
White solid
Solubility
<24.61mg/ml in H2O
Smiles
OC([C@H](CCC/N=C(C)/N)N)=O.Cl.Cl
Molecular Formula
C7H15N3O2·2HCl
Molecular Weight
246.13
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

L-Nio dihydrochloride
CAS Number159190-44-0
PubChem CID2733507
IUPAC Name(2S)-2-amino-5-(1-aminoethylideneamino)pentanoic acid;dihydrochloride
Molecular FormulaC7H17Cl2N3O2
Molecular Weight246.13
Topological Polar Surface Area102
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity179
SMILES
CC(=NCCC[C@@H](C(=O)O)N)N.Cl.Cl
InChI
InChI=1S/C7H15N3O2.2ClH/c1-5(8)10-4-2-3-6(9)7(11)12;;/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12);2*1H/t6-;;/m0../s1
InChIKey
RYCMAAFECCXGHI-ILKKLZGPSA-N
Chemical Structure
2D Structure
2D structure of L-Nio dihydrochloride
CAS: 159190-44-0
CID: 2733507
Formula: C7H17Cl2N3O2
MW: 246.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.13
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass245.0697822
Monoisotopic Mass245.0697822
Topological Polar Surface Area102 Ų
Heavy Atom Count14
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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