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Home Aminos 4-(Allylamino)benzoic acid

4-(Allylamino)benzoic acid

CAS No.:
53624-18-3
Catalog Number:
AG00DD4A
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00DD4A
Chemical Name:
4-(Allylamino)benzoic acid
CAS Number:
53624-18-3
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD02252822
IUPAC Name:
4-(prop-2-enylamino)benzoic acid
InChI:
InChI=1S/C10H11NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h2-6,11H,1,7H2,(H,12,13)
InChI Key:
KAAMYCLKDWDNNY-UHFFFAOYSA-N
SMILES:
C=CCNc1ccc(cc1)C(=O)O
NSC Number:
138298
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties