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13138-36-8

13138-36-8 | Phosphonic acid, P-(1-aminobutyl)-

CAS No: 13138-36-8 Catalog No: AG000W26 MDL No:MFCD00039779

Product Description

Catalog Number:
AG000W26
Chemical Name:
Phosphonic acid, P-(1-aminobutyl)-
CAS Number:
13138-36-8
Molecular Formula:
C4H12NO3P
Molecular Weight:
153.1167
MDL Number:
MFCD00039779
IUPAC Name:
1-aminobutylphosphonic acid
InChI:
InChI=1S/C4H12NO3P/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)
InChI Key:
UAEPDDGDPAPPHZ-UHFFFAOYSA-N
SMILES:
CCCC(P(=O)(O)O)N
NSC Number:
117799

Properties

Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.055g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
153.118g/mol
Monoisotopic Mass:
153.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4  

Literature

Title Journal
New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13. Bioorganic & medicinal chemistry 20100415

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