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13138-37-9 | Phosphonic acid, P-(1-aminopentyl)-
CAS No: 13138-37-9 Catalog No: AG000W25 MDL No:
Product Description
Catalog Number:
AG000W25
Chemical Name:
Phosphonic acid, P-(1-aminopentyl)-
CAS Number:
13138-37-9
Molecular Formula:
C5H14NO3P
Molecular Weight:
167.1433
IUPAC Name:
1-aminopentylphosphonic acid
InChI:
InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)
InChI Key:
NXTPDFMZKSLVRK-UHFFFAOYSA-N
SMILES:
CCCCC(P(=O)(O)O)N
NSC Number:
133880
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.145g/mol
Monoisotopic Mass:
167.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
Literature
| Title | Journal |
|---|---|
| New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13. | Bioorganic & medicinal chemistry 20100415 |
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