Name: Name:Ethanol, 2-[[4-chloro-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]amino]-
Brand: Angene
SKU: AG002VAV
Rating: 90 (10 reviews)

Ethanol, 2-[[4-chloro-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]amino]-

CAS No.:

2904-53-2

Catalog Number:

AG002VAV

Molecular Formula:

C8H14ClN5O

Molecular Weight:

231.6827

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Purity

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Product Description

Catalog Number:

AG002VAV

Chemical Name:

Ethanol, 2-[[4-chloro-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]amino]-

CAS Number:

2904-53-2

Molecular Formula:

C8H14ClN5O

Molecular Weight:

231.6827

MDL Number:

MFCD01975391

IUPAC Name:

2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

InChI:

InChI=1S/C8H14ClN5O/c1-5(2)11-8-13-6(9)12-7(14-8)10-3-4-15/h5,15H,3-4H2,1-2H3,(H2,10,11,12,13,14)

InChI Key:

RRXYTCNXXVSNIX-UHFFFAOYSA-N

SMILES:

OCCNc1nc(NC(C)C)nc(n1)Cl

Properties

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.684g/mol

Monoisotopic Mass:

231.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

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