Name: Name:1-(4-methylphenyl)-3-(prop-2-yn-1-yl)urea
Brand: Angene
SKU: AG019WVU
Rating: 90 (10 reviews)

1-(4-methylphenyl)-3-(prop-2-yn-1-yl)urea

CAS No.:

852027-47-5

Catalog Number:

AG019WVU

Molecular Formula:

C11H12N2O

Molecular Weight:

188.2258

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Product Description

Catalog Number:

AG019WVU

Chemical Name:

1-(4-methylphenyl)-3-(prop-2-yn-1-yl)urea

CAS Number:

852027-47-5

Molecular Formula:

C11H12N2O

Molecular Weight:

188.2258

MDL Number:

MFCD07296271

IUPAC Name:

1-(4-methylphenyl)-3-prop-2-ynylurea

InChI:

InChI=1S/C11H12N2O/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3,(H2,12,13,14)

InChI Key:

OHSOAMYXSOABOR-UHFFFAOYSA-N

SMILES:

C#CCNC(=O)Nc1ccc(cc1)C

Properties

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.23g/mol

Monoisotopic Mass:

188.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

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