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14596-55-5 | Phosphonic acid, [2-(methylamino)ethyl]- (8CI,9CI)
CAS No: 14596-55-5 Catalog No: AG001DK5 MDL No:
Product Description
Catalog Number:
AG001DK5
Chemical Name:
Phosphonic acid, [2-(methylamino)ethyl]- (8CI,9CI)
CAS Number:
14596-55-5
Molecular Formula:
C3H10NO3P
Molecular Weight:
139.0902
IUPAC Name:
2-(methylamino)ethylphosphonic acid
InChI:
InChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChI Key:
KMMKKNKMHUQJAW-UHFFFAOYSA-N
SMILES:
CNCCP(=O)(O)O
NSC Number:
133872
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
139.091g/mol
Monoisotopic Mass:
139.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3
Literature
| Title | Journal |
|---|---|
| In vitro and in vivo anti-angiogenic activities and inhibition of hormone-dependent and -independent breast cancer cells by ceramide methylaminoethylphosphonate. | Journal of agricultural and food chemistry 20090624 |
| Sphingophosphonolipid molecular species from edible mollusks and a jellyfish. | Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology 20030901 |
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