CAS 1637-52-1 | (E)-4-Pyridinecarbaldehyde oxime | CAS Number 1637-52-1

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1637-52-1 | (E)-4-Pyridinecarbaldehyde oxime

CAS No: 1637-52-1 Catalog No: AG00AYYE MDL No:MFCD00006446

Product Description

Catalog Number:

AG00AYYE

Chemical Name:

(E)-4-Pyridinecarbaldehyde oxime

CAS Number:

1637-52-1

Molecular Formula:

C6H6N2O

Molecular Weight:

122.1246

MDL Number:

MFCD00006446

IUPAC Name:

(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine

InChI:

InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+

InChI Key:

OFYLBLSSPQTTHT-VMPITWQZSA-N

SMILES:

O/N=C/c1ccncc1

EC Number:

211-796-6

NSC Number:

63847

Properties

Complexity:

97.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

122.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

122.127g/mol

Monoisotopic Mass:

122.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase.	Toxicology letters 20160226
Synthesis and in vitro kinetic study of novel mono-pyridinium oximes as reactivators of organophosphorus (OP) inhibited human acetylcholinesterase (hAChE).	Chemico-biological interactions 20150725
Novel oximes as blood-brain barrier penetrating cholinesterase reactivators.	Chemico-biological interactions 20100906