N3-4-piperidinyl-2,3-pyridinediamine 2HCl manufacturers and suppliers on PharmaCompass

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Chemistry

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Also known as: Schembl12469771, Db-085230, 1373116-08-5
Molecular Formula
C10H18Cl2N4
Molecular Weight
265.18  g/mol
InChI Key
UHLJULSYFLEASQ-UHFFFAOYSA-N

N3-4-piperidinyl-2,3-pyridinediamine 2HCl
1 2D Structure

N3-4-piperidinyl-2,3-pyridinediamine 2HCl

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-N-piperidin-4-ylpyridine-2,3-diamine;dihydrochloride
2.1.2 InChI
InChI=1S/C10H16N4.2ClH/c11-10-9(2-1-5-13-10)14-8-3-6-12-7-4-8;;/h1-2,5,8,12,14H,3-4,6-7H2,(H2,11,13);2*1H
2.1.3 InChI Key
UHLJULSYFLEASQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCC1NC2=C(N=CC=C2)N.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl12469771

2. Db-085230

3. 1373116-08-5

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 265.18 g/mol
Molecular Formula C10H18Cl2N4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area63
Heavy Atom Count16
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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