benzyl N-[bis(2-chloroethyl)aminomethyl]carbamate
benzyl N-[bis(2-chloroethyl)aminomethyl]carbamate
| Molecular Formula | C13H18Cl2N2O2 |
|---|---|
| Molecular Weight | 305.2 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 304.07452 |
| Heavy Atoms | 19 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 58050-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCN(CCCl)CCCl |
| InChIKey | XLNKEEKJYALKLD-UHFFFAOYSA-N |
📖 Product Overview
benzyl N-[bis(2-chloroethyl)aminomethyl]carbamate (CAS: 58050-46-7) is a chemical compound with molecular formula C13H18Cl2N2O2 and molecular weight 305.2 g/mol. Its IUPAC systematic name is benzyl N-[bis(2-chloroethyl)aminomethyl]carbamate.
XLNKEEKJYALKLD-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)COC(=O)NCN(CCCl)CCCl.
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