YS-035 hydrochloride

CAT: 0024-sc-203722Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203722Size:10 mg

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CAS Number

33978-72-2

Chemical Information

N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine

2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine is a dimethoxybenzene.

CAS Number	33978-72-2
PubChem CID	5714
IUPAC Name	2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine
Molecular Formula	C21H29NO4
Molecular Weight	359.5
XLogP	4.1
Topological Polar Surface Area	40.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	26
Formal Charge	0
Complexity	347

SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3

InChIKey

OXZMQFKVNVQMLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33978-72-2

CID: 5714

Formula: C21H29NO4

MW: 359.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.5
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	359.20965841
Monoisotopic Mass	359.20965841
Topological Polar Surface Area	40.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
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sc-215839A	Sandoz 58-035
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