Rac-Anabasamine

CAT: 0024-sc-479549Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-479549Size:10 mg

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CAS Number

400738-05-8

Chemical Information

Anabasamine

5-(1-methyl-2-piperidinyl)-2-(3-pyridinyl)pyridine is a member of bipyridines.

CAS Number	400738-05-8
PubChem CID	161313
IUPAC Name	5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine
Molecular Formula	C16H19N3
Molecular Weight	253.34
XLogP	1.6
Topological Polar Surface Area	29
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	281

SMILES

CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3

InChIKey

TZRDBHMKTWECOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400738-05-8

CID: 161313

Formula: C16H19N3

MW: 253.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.34
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	253.157897619
Monoisotopic Mass	253.157897619
Topological Polar Surface Area	29 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	281
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	1
Compound Is Canonicalized	Yes

Catalog	Name
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