Basic information
- CAS
40068-30-2- Standard SMILES
O=C(O)CNC(=O)Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
FYUVXIXIDXUJMW-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O3
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.0694478
Names & identifiers
- Preferred name
- n-({4-[Bis(2-chloroethyl)amino]phenyl}acetyl)glycine
- IUPAC
- 2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]acetic acid
Names & synonyms
40068-30-2n-({4-[bis(2-chloroethyl)amino]phenyl}acetyl)glycineNSC135016DTXSID40300132NSC-135016DS-000140Glycine,n-[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-(9ci)
Database identifiers
- CAS
40068-30-2- PubChem CID
- 281979
- DTXSID
DTXSID40300132
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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