CAS 741248-96-4 | N-{[3-(aminomethyl)phenyl]methyl}acetamide | CAS Number 741248-96-4

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741248-96-4 | N-{[3-(aminomethyl)phenyl]methyl}acetamide

CAS No: 741248-96-4 Catalog No: AG01ADWF MDL No:MFCD12079041

Product Description

Catalog Number:

AG01ADWF

Chemical Name:

N-{[3-(aminomethyl)phenyl]methyl}acetamide

CAS Number:

741248-96-4

Molecular Formula:

C10H14N2O

Molecular Weight:

178.2310

MDL Number:

MFCD12079041

IUPAC Name:

N-[[3-(aminomethyl)phenyl]methyl]acetamide

InChI:

InChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H,12,13)

InChI Key:

UBGHOIDVCMBBEP-UHFFFAOYSA-N

SMILES:

NCc1cccc(c1)CNC(=O)C

Properties

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.235g/mol

Monoisotopic Mass:

178.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Selective inhibition of inducible nitric oxide synthase reduces neurological deficit but not cerebral edema following traumatic brain injury.	Neuropharmacology 20060201
Nitric oxide produced by inducible nitric oxide synthase is associated with mammary tumorigenesis in irradiated rats.	Nitric oxide : biology and chemistry 20050201
Nitric oxide induces apoptosis in the fat body cell line IPLB-LdFB from the insect Lymantria dispar.	Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology 20010201