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Home Aminos Trimethylene bis(4-aminobenzoate)

Trimethylene bis(4-aminobenzoate)

CAS No.:
57609-64-0
Catalog Number:
AG003V3V
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(T)(HPLC)
1 week
United States
$100
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Product Description
Catalog Number:
AG003V3V
Chemical Name:
Trimethylene bis(4-aminobenzoate)
CAS Number:
57609-64-0
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
MDL Number:
MFCD00129765
IUPAC Name:
3-(4-aminobenzoyl)oxypropyl 4-aminobenzoate
InChI:
InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
InChI Key:
YPACMOORZSDQDQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N
EC Number:
260-847-9
UNII:
8860R9ORQR
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Propane-1,3-diyl bis-(4-amino-benzoate). Acta crystallographica. Section E, Structure reports online 20100801
Properties