CAS 1656-94-6 | 3-Pyridinemethanamine, N-(3-pyridinylmethyl)- | CAS Number 1656-94-6

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1656-94-6 | 3-Pyridinemethanamine, N-(3-pyridinylmethyl)-

CAS No: 1656-94-6 Catalog No: AG001W8M MDL No:MFCD00038043

Product Description

Catalog Number:

AG001W8M

Chemical Name:

3-Pyridinemethanamine, N-(3-pyridinylmethyl)-

CAS Number:

1656-94-6

Molecular Formula:

C12H13N3

Molecular Weight:

199.2517

MDL Number:

MFCD00038043

IUPAC Name:

1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine

InChI:

InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2

InChI Key:

FEBQXMFOLRVSGC-UHFFFAOYSA-N

SMILES:

c1ccc(cn1)CNCc1cccnc1

EC Number:

216-753-5

NSC Number:

86140

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.257g/mol

Monoisotopic Mass:

199.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis, characterization and structural transformation of a discrete tetragonal metalloprism.	Dalton transactions (Cambridge, England : 2003) 20120107
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101