Bk-mdea (hydrochloride)

CAT: 0926-EIC26619-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-EIC26619-01Size:10 mg

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

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CAS Number

1454266-19-3

Smiles

CCNC (C) C (=O) C1=CC2=C (C=C1) OCO2.Cl

Molecular Formula

C12H16ClNO3

Molecular Weight

257.71 g/mol

Controlled

Yes

Chemical Information

bk-MDEA (hydrochloride)

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CAS Number	1454266-19-3
PubChem CID	76974160
IUPAC Name	1-(1,3-benzodioxol-5-yl)-2-(ethylamino)propan-1-one;hydrochloride
Molecular Formula	C12H16ClNO3
Molecular Weight	257.71
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	257

SMILES

CCNC(C)C(=O)C1=CC2=C(C=C1)OCO2.Cl

InChI

InChI=1S/C12H15NO3.ClH/c1-3-13-8(2)12(14)9-4-5-10-11(6-9)16-7-15-10;/h4-6,8,13H,3,7H2,1-2H3;1H

InChIKey

FQUJUYOEUQPDDR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1454266-19-3

CID: 76974160

Formula: C12H16ClNO3

MW: 257.71

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	257.71
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	257.0818711
Monoisotopic Mass	257.0818711
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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