Estocin

CAT: 0926-CAA42475-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA42475-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2424-75-1

Smiles

CCOC (C1=CC=CC=C1) (C2=CC=CC=C2) C (=O) OCC[NH+] (C) C.[Cl-]

Molecular Formula

C20H26ClNO3

Molecular Weight

363.9 g/mol

Controlled

Yes

Chemical Information

Benzeneacetic acid, alpha-ethoxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride

CAS Number	2424-75-1
PubChem CID	17035
IUPAC Name	2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride
Molecular Formula	C20H26ClNO3
Molecular Weight	363.9
Topological Polar Surface Area	40
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	25
Formal Charge	0
Complexity	353

SMILES

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C20H25NO3.ClH/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3;/h5-14H,4,15-16H2,1-3H3;1H

InChIKey

ZFUFAMMRSGTUQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2424-75-1

CID: 17035

Formula: C20H26ClNO3

MW: 363.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	363.1601214
Monoisotopic Mass	363.1601214
Topological Polar Surface Area	40 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	353
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	2
Compound Is Canonicalized	Yes

Catalog	Name
448463-01	Estocin