GTS 21

CAT: 0926-FG43152-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FG43152-02Size:500 mg

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CAS Number

148372-04-7

MDL Number

MFCD05237234

Smiles

COC1=CC (=C (C=C1) /C=C/2\CCCN=C2C3=CN=CC=C3) OC

Molecular Formula

C19H20N2O2

Molecular Weight

308.37 g/mol

Controlled

Chemical Information

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine

DMXB-A is a dimethoxybenzene.

CAS Number	148372-04-7
PubChem CID	5310985
IUPAC Name	3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
Molecular Formula	C19H20N2O2
Molecular Weight	308.4
XLogP	3
Topological Polar Surface Area	43.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	447

SMILES

COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC

InChI

InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+

InChIKey

RPYWXZCFYPVCNQ-RVDMUPIBSA-N

Chemical Structure

2D Structure

CAS: 148372-04-7

CID: 5310985

Formula: C19H20N2O2

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	308.152477885
Monoisotopic Mass	308.152477885
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	447
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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