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113919-36-1 | 2-Piperazinecarboxylic acid, 4-(phosphonomethyl)-
CAS No: 113919-36-1 Catalog No: AG000A26 MDL No:
Product Description
Catalog Number:
AG000A26
Chemical Name:
2-Piperazinecarboxylic acid, 4-(phosphonomethyl)-
CAS Number:
113919-36-1
Molecular Formula:
C6H13N2O5P
Molecular Weight:
224.1516
IUPAC Name:
4-(phosphonomethyl)piperazine-2-carboxylic acid
InChI:
InChI=1S/C6H13N2O5P/c9-6(10)5-3-8(2-1-7-5)4-14(11,12)13/h5,7H,1-4H2,(H,9,10)(H2,11,12,13)
InChI Key:
ILRBBHJXTYIHTP-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCN(C1)CP(=O)(O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.153g/mol
Monoisotopic Mass:
224.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.1
Literature
| Title | Journal |
|---|---|
| The effect of competitive antagonist chain length on NMDA receptor subunit selectivity. | Neuropharmacology 20050301 |
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