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18865-33-3 | Phosphonic acid, (1,5-diaminopentyl)- (8CI,9CI)
CAS No: 18865-33-3 Catalog No: AG002H3D MDL No:
Product Description
Catalog Number:
AG002H3D
Chemical Name:
Phosphonic acid, (1,5-diaminopentyl)- (8CI,9CI)
CAS Number:
18865-33-3
Molecular Formula:
C5H15N2O3P
Molecular Weight:
182.1580
IUPAC Name:
1,5-diaminopentylphosphonic acid
InChI:
InChI=1S/C5H15N2O3P/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)
InChI Key:
LKFHLBGDPDYWSG-UHFFFAOYSA-N
SMILES:
NCCCCC(P(=O)(O)O)N
NSC Number:
133878
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
182.16g/mol
Monoisotopic Mass:
182.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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