meta-Phenylalanine mustard
[2-[3-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
| Molecular Formula | C13H19Cl3N2O2 |
|---|---|
| Molecular Weight | 341.7 g/mol |
| Topological Polar Surface Area | 68.2 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.0512 |
| Heavy Atoms | 20 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4213-34-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)[NH3+].[Cl-] |
| InChIKey | ZUSOCJTVMIUIBY-UHFFFAOYSA-N |
📖 Product Overview
meta-Phenylalanine mustard (CAS: 4213-34-7) is a chemical compound with molecular formula C13H19Cl3N2O2 and molecular weight 341.7 g/mol. Its IUPAC systematic name is [2-[3-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride.
ZUSOCJTVMIUIBY-UHFFFAOYSA-N.
SMILES: C1=CC(=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)[NH3+].[Cl-].
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