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Home Aminos Methyl 3-amino-4-(cyclohexylamino)benzoate

Methyl 3-amino-4-(cyclohexylamino)benzoate

CAS No.:
503859-27-6
Catalog Number:
AG00DBWX
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00DBWX
Chemical Name:
Methyl 3-amino-4-(cyclohexylamino)benzoate
CAS Number:
503859-27-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD13343558
IUPAC Name:
methyl 3-amino-4-(cyclohexylamino)benzoate
InChI:
InChI=1S/C14H20N2O2/c1-18-14(17)10-7-8-13(12(15)9-10)16-11-5-3-2-4-6-11/h7-9,11,16H,2-6,15H2,1H3
InChI Key:
QZHHJKXBIHAXTB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N)NC1CCCCC1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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