Name: Name:Benzoic acid, 2-(butylamino)-
Brand: Angene
SKU: AG0025K8
Rating: 90 (10 reviews)

Benzoic acid, 2-(butylamino)-

CAS No.:

17781-86-1

Catalog Number:

AG0025K8

Molecular Formula:

C11H15NO2

Molecular Weight:

193.2423

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Product Description

Catalog Number:

AG0025K8

Chemical Name:

Benzoic acid, 2-(butylamino)-

CAS Number:

17781-86-1

Molecular Formula:

C11H15NO2

Molecular Weight:

193.2423

MDL Number:

MFCD00092305

IUPAC Name:

2-(butylamino)benzoic acid

InChI:

InChI=1S/C11H15NO2/c1-2-3-8-12-10-7-5-4-6-9(10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)

InChI Key:

DHBHUGJZAZYELM-UHFFFAOYSA-N

SMILES:

CCCCNc1ccccc1C(=O)O

Properties

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.246g/mol

Monoisotopic Mass:

193.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

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

Properties