|
Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of
|
(1-Amino-1-phenylmethyl)phosphonic Acid
1_amino_1_phenylmethyl_phosphonic_acid synonyms
(Aminophenylmethyl)phosphonic acid; Phosphonic acid, (alpha-aminobenzyl)- (6CI,8CI); (alpha-Aminobenzyl)phosphonic acid; Phosphonic acid, (aminophenylmethyl)-
Graphical representations:
View large 3D structure
Molecular Formula: C7H10NO3P
Natural Isotopic Abundance Mass: 187.1329610000
Mono-Isotopic Molecular Masses:
- C12N14: 187.039829703
- C13N14: 194.063313567
- C12N15: 188.036864596
- C13N15: 195.0603484603
InChI string: InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/t7-/m1/s1
IUPAC: (amino-phenyl-methyl)phosphonic acid
PubChem Compound (CID): 98449CAS Registry number: 18108-22-0
Beilstein Handbook Reference: 4-07-00-00555
NSC: 133874
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)