CAS 204838-36-8 | Benzeneacetaldehyde, 4-amino- | CAS Number 204838-36-8

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204838-36-8 | Benzeneacetaldehyde, 4-amino-

CAS No: 204838-36-8 Catalog No: AG0029Q7 MDL No:

Product Description

Catalog Number:

AG0029Q7

Chemical Name:

Benzeneacetaldehyde, 4-amino-

CAS Number:

204838-36-8

Molecular Formula:

C8H9NO

Molecular Weight:

135.1632

IUPAC Name:

2-(4-aminophenyl)acetaldehyde

InChI:

InChI=1S/C8H9NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5,9H2

InChI Key:

OOVPKTABSPKFLL-UHFFFAOYSA-N

SMILES:

O=CCc1ccc(cc1)N

Properties

Complexity:

106

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

135.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

135.166g/mol

Monoisotopic Mass:

135.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Novel cathepsin B-sensitive paclitaxel conjugate: Higher water solubility, better efficacy and lower toxicity.	Journal of controlled release : official journal of the Controlled Release Society 20120628
1-(4-{[(E)-3-Eth-oxy-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.	Acta crystallographica. Section E, Structure reports online 20120201
The use of a chemistry-based profiler for covalent DNA binding in the development of chemical categories for read-across for genotoxicity.	Alternatives to laboratory animals : ATLA 20110501
1-(4-{[(E)-4-Methyl-benzyl-idene]amino}-phen-yl)ethanone oxime.	Acta crystallographica. Section E, Structure reports online 20101001
1-(4-{[(E)-5-Chloro-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.	Acta crystallographica. Section E, Structure reports online 20101001
4-[1-(Hydroxy-imino)ethyl]-N-(4-nitro-benzyl-idene)aniline.	Acta crystallographica. Section E, Structure reports online 20091001