Ocaphane (free acid)
2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
Also Known As: Ocaphane, Ocaphane Hydrochloride, Ocaphane (free acid), Niobium hydroxide oxide, HY-19459A, 2-{[bis(2-chloroethyl)amino]methyl}phenylalanine, 2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09018 g/mol |
| LogP | 1.92 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 423 |
Chemical Identifiers
| CAS Number | 3734-80-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C(=O)O)N)CN(CCCl)CCCl |
Product Overview
Ocaphane (free acid) (CAS 3734-80-3), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09018 g/mol. IUPAC: 2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid.
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