Name: Name:3-amino-4-{[3-(morpholin-4-yl)propyl]amino}benzoic acid
Brand: Angene
SKU: AG01ABGW
Rating: 90 (10 reviews)

3-amino-4-{[3-(morpholin-4-yl)propyl]amino}benzoic acid

CAS No.:

452088-62-9

Catalog Number:

AG01ABGW

Molecular Formula:

C14H21N3O3

Molecular Weight:

279.3348

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Product Description

Catalog Number:

AG01ABGW

Chemical Name:

3-amino-4-{[3-(morpholin-4-yl)propyl]amino}benzoic acid

CAS Number:

452088-62-9

Molecular Formula:

C14H21N3O3

Molecular Weight:

279.3348

MDL Number:

MFCD03021441

IUPAC Name:

3-amino-4-(3-morpholin-4-ylpropylamino)benzoic acid

InChI:

InChI=1S/C14H21N3O3/c15-12-10-11(14(18)19)2-3-13(12)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9,15H2,(H,18,19)

InChI Key:

VRHZWWOENWNDPZ-UHFFFAOYSA-N

SMILES:

Nc1cc(ccc1NCCCN1CCOCC1)C(=O)O

Properties

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.34g/mol

Monoisotopic Mass:

279.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.5

Literature

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