CAS 90-26-6 | 2-phenylbutyramide | CAS Number 90-26-6

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90-26-6 | 2-phenylbutyramide

CAS No: 90-26-6 Catalog No: AG0036VQ MDL No:

Product Description

Catalog Number:

AG0036VQ

Chemical Name:

2-phenylbutyramide

CAS Number:

90-26-6

Molecular Formula:

C10H13NO

Molecular Weight:

163.2163

IUPAC Name:

2-phenylbutanamide

InChI:

InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)

InChI Key:

UNFGQCCHVMMMRF-UHFFFAOYSA-N

SMILES:

CCC(c1ccccc1)C(=O)N

EC Number:

201-980-4

NSC Number:

1861

Properties

Complexity:

150

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.22g/mol

Monoisotopic Mass:

163.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Deficient DNA repair exacerbates ethanol-initiated DNA oxidation and embryopathies in ogg1 knockout mice: gender risk and protection by a free radical spin trapping agent.	Archives of toxicology 20160201
N-ethylphenyl acetamide (EPA) inhibits DNA synthesis and N-acetylation of 2-aminofluorene in human colon tumor cells (colo 205).	Anticancer research 20040101