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YS 3634

CAT: 0013-GTR19192237Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192237Size:25 mg
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Description
YS 3634
CAS Number
857-03-4
Smiles
Cl.OC (C=1C=CC=CC1) (C2=CC (OC) =CC=C2OC) CC (N (CC) CC) C
Molecular Formula
C22H32ClNO3
Molecular Weight
393.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Diethylamino)-1-(2,5-dimethoxyphenyl)-1-phenylbutan-1-ol--hydrogen chloride (1/1)
CAS Number857-03-4
PubChem CID120815
IUPAC Name3-(diethylamino)-1-(2,5-dimethoxyphenyl)-1-phenylbutan-1-ol;hydrochloride
Molecular FormulaC22H32ClNO3
Molecular Weight393.9
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity395
SMILES
CCN(CC)C(C)CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O.Cl
InChI
InChI=1S/C22H31NO3.ClH/c1-6-23(7-2)17(3)16-22(24,18-11-9-8-10-12-18)20-15-19(25-4)13-14-21(20)26-5;/h8-15,17,24H,6-7,16H2,1-5H3;1H
InChIKey
ABZWBOFKZRGAFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Diethylamino)-1-(2,5-dimethoxyphenyl)-1-phenylbutan-1-ol--hydrogen chloride (1/1)
CAS: 857-03-4
CID: 120815
Formula: C22H32ClNO3
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass393.2070716
Monoisotopic Mass393.2070716
Topological Polar Surface Area41.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity395
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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