Name: Name:3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile
Brand: Angene
SKU: AG00ICNV
Rating: 90 (10 reviews)

3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile

CAS No.:

757192-66-8

Catalog Number:

AG00ICNV

Molecular Formula:

C11H12N2O2

Molecular Weight:

204.2252

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Product Description

Catalog Number:

AG00ICNV

Chemical Name:

3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile

CAS Number:

757192-66-8

Molecular Formula:

C11H12N2O2

Molecular Weight:

204.2252

MDL Number:

MFCD06340072

IUPAC Name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanenitrile

InChI:

InChI=1S/C11H12N2O2/c12-4-1-5-13-9-2-3-10-11(8-9)15-7-6-14-10/h2-3,8,13H,1,5-7H2

InChI Key:

KICOETUQMOSVHY-UHFFFAOYSA-N

SMILES:

N#CCCNc1ccc2c(c1)OCCO2

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.229g/mol

Monoisotopic Mass:

204.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101