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Home Carboxys 4-(4-Carboxybenzyl)piperazine-1-carboxylic acid tert-butyl ester

4-(4-Carboxybenzyl)piperazine-1-carboxylic acid tert-butyl ester

CAS No.:
479353-63-4
Catalog Number:
AG00I8QL
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$60
- +
5g
96%
In Stock USA
United States
$182
- +
10g
96%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG00I8QL
Chemical Name:
4-(4-Carboxybenzyl)piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
479353-63-4
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD04974012
IUPAC Name:
4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-8-18(9-11-19)12-13-4-6-14(7-5-13)15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)
InChI Key:
JGOFKAHLQQITIG-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(cc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties