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

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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties