3-(Bis(2-chloroethyl)amino)-4-methylbenzamide
Basic information
- CAS
19768-73-1- Standard SMILES
Cc1ccc(C(N)=O)cc1N(CCCl)CCCl- InChIKey
JEPNDMLVRFWZTG-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2O
- Average molar mass
- 275.17 g/mol
- Monoisotopic mass
- 274.0639685
Names & identifiers
- Preferred name
- 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide
- IUPAC
- 3-[bis(2-chloroethyl)amino]-4-methylbenzamide
- English name
- 3-[Bis(2-chloroethyl)amino]-4-methylbenzamide
- Molecular formula
- C12H16Cl2N2O
- Molecular weight
- 275.17
Names & synonyms
3-[bis(2-chloroethyl)amino]-4-methylbenzamide19768-73-13-(bis(2-chloroethyl)amino)-4-methylbenzamideRefChem:1067007BRN 30988763-(Bis(2-chloroethyl)amino)-p-toluamidep-Toluamide, 3-(bis(2-chloroethyl)amino)-DTXSID509415353-[Bis(2-chloroethyl)amino]-4-methylbenzene-1-carboximidic acidBenzamide, 3-[bis(2-chloroethyl)amino]-4-methyl-
Database identifiers
- CAS
19768-73-1- PubChem CID
- 88233
- DTXSID
DTXSID50941535- Nikkaji
- J48.878J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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