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20459-61-4 | Phosphonic acid, P-(1-amino-2-methylbutyl)-
CAS No: 20459-61-4 Catalog No: AG0029LJ MDL No:MFCD02093907
Product Description
Catalog Number:
AG0029LJ
Chemical Name:
Phosphonic acid, P-(1-amino-2-methylbutyl)-
CAS Number:
20459-61-4
Molecular Formula:
C5H14NO3P
Molecular Weight:
167.1433
MDL Number:
MFCD02093907
IUPAC Name:
(1-amino-2-methylbutyl)phosphonic acid
InChI:
InChI=1S/C5H14NO3P/c1-3-4(2)5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)
InChI Key:
NOQKPEWLSMCOFU-UHFFFAOYSA-N
SMILES:
CCC(C(P(=O)(O)O)N)C
NSC Number:
117802
Properties
Complexity:
144
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:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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