3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine
2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid
| Molecular Formula | C14H20Cl2N2O4S |
|---|---|
| Molecular Weight | 383.3 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 109.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.0521 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 6940-98-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)CC(C(=O)O)N)N(CCCl)CCCl |
| InChIKey | YDMMNUBREJUGOU-UHFFFAOYSA-N |
📖 Product Overview
3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine (CAS: 6940-98-3) is a chemical compound with molecular formula C14H20Cl2N2O4S and molecular weight 383.3 g/mol. Its IUPAC systematic name is 2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid.
YDMMNUBREJUGOU-UHFFFAOYSA-N.
SMILES: C1=CC(=CC=C1CS(=O)(=O)CC(C(=O)O)N)N(CCCl)CCCl.
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