Name: Name:2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}benzoic acid
Brand: Angene
SKU: AG00IC8T
Rating: 90 (10 reviews)

2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}benzoic acid

CAS No.:

722466-18-4

Catalog Number:

AG00IC8T

Molecular Formula:

C15H19NO2

Molecular Weight:

245.3169

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Product Description

Catalog Number:

AG00IC8T

Chemical Name:

2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}benzoic acid

CAS Number:

722466-18-4

Molecular Formula:

C15H19NO2

Molecular Weight:

245.3169

MDL Number:

MFCD03956563

IUPAC Name:

2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid

InChI:

InChI=1S/C15H19NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2,(H,17,18)

InChI Key:

GVRCRJICMDOYGU-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1NCCC1=CCCCC1

Properties

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.322g/mol

Monoisotopic Mass:

245.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

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