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Guanfacine-13C-15N3

CAT: 1596-AR-G01632-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01632-01Size:10 Units
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CAS Number
1189924-28-4
Synonyms
N-carbamimidoyl-2- (2,6-dichlorophenyl) acetamide-13C15N3; N- (Aminoiminomethyl) -2,6-dichlorobenzeneacetamide-13C, 15N3; N-Amidino-2- (2,6-dichlorophenyl) acetamide-13C, 15N3; [ (2,6-Dichlorophenyl) acetyl]guanidine-13C,15N3; Guanfascine-13C,15N3; Guarfacine-13C, 15N3
Molecular Formula
13C 15N3 C8H9Cl2O
Molecular Weight
250.07
API Name
Guanfacine

Chemical Information

N-(bis(15N)(azanyl)(113C)methylidene)-2-(2,6-dichlorophenyl)acetamide
CAS Number1189924-28-4
PubChem CID46780454
IUPAC NameN-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
Molecular FormulaC9H9Cl2N3O
Molecular Weight250.06
XLogP2
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity256
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)[15N]=[13C]([15NH2])[15NH2])Cl
InChI
InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)/i9+1,12+1,13+1,14+1
InChIKey
INJOMKTZOLKMBF-DATIIYMNSA-N
Chemical Structure
2D Structure
2D structure of N-(bis(15N)(azanyl)(113C)methylidene)-2-(2,6-dichlorophenyl)acetamide
CAS: 1189924-28-4
CID: 46780454
Formula: C9H9Cl2N3O
MW: 250.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.06
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass249.0067268
Monoisotopic Mass249.0067268
Topological Polar Surface Area81.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity256
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-G816002-1MGGuanfacine-13C, 15N3
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451507Guanfacine-13C, 15N3 Hydrochloride
HY-17416AS1Guanfacine-15N3,13C2
469353-01α-Clofarabine-15N3, 13C
HY-B0250S2Lamivudine-13C,15N3
TRC-V250019-5MGVicine-13C,15N3
HY-17416S2Guanfacine-13C, d5 (hydrochloride)
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