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YS 3621

CAT: 0013-GTR19192238Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192238Size:25 mg
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Description
YS 3621
CAS Number
851-01-4
Smiles
Cl.OC (C=1C=CC=CC1) (C2=CC (OC) =CC=C2OC) CC (NC) C
Molecular Formula
C19H26ClNO3
Molecular Weight
351.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YS 3621
CAS Number851-01-4
PubChem CID120811
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(methylamino)-1-phenylbutan-1-ol;hydrochloride
Molecular FormulaC19H26ClNO3
Molecular Weight351.9
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity346
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)NC.Cl
InChI
InChI=1S/C19H25NO3.ClH/c1-14(20-2)13-19(21,15-8-6-5-7-9-15)17-12-16(22-3)10-11-18(17)23-4;/h5-12,14,20-21H,13H2,1-4H3;1H
InChIKey
VJZSXMGEJJJBON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YS 3621
CAS: 851-01-4
CID: 120811
Formula: C19H26ClNO3
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass351.1601214
Monoisotopic Mass351.1601214
Topological Polar Surface Area50.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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