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125078-17-3 | Phosphonic acid, (1-amino-1-methylbutyl)- (9CI)
CAS No: 125078-17-3 Catalog No: AG000N3Z MDL No:
Product Description
Catalog Number:
AG000N3Z
Chemical Name:
Phosphonic acid, (1-amino-1-methylbutyl)- (9CI)
CAS Number:
125078-17-3
Molecular Formula:
C5H14NO3P
Molecular Weight:
167.1433
IUPAC Name:
2-aminopentan-2-ylphosphonic acid;hydrate
InChI:
InChI=1S/C5H14NO3P.H2O/c1-3-4-5(2,6)10(7,8)9;/h3-4,6H2,1-2H3,(H2,7,8,9);1H2
InChI Key:
LDZNYGHAIMXMJN-UHFFFAOYSA-N
SMILES:
CCCC(P(=O)(O)O)(N)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
185.16g/mol
Monoisotopic Mass:
185.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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