Basic information
- CAS
92019-83-5- Standard SMILES
O=C(O)CCOc1ccc(N(CCCl)CCCl)cc1- InChIKey
AAVIPUSYYJOCPI-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2NO3
- Average molar mass
- 306.18 g/mol
- Monoisotopic mass
- 305.0585488
Overview
a DNA alkylating agent; structure in first source
Names & identifiers
- Preferred name
- 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid
- IUPAC
- 3-[4-[bis(2-chloroethyl)amino]phenoxy]propanoic acid
Names & synonyms
92019-83-5LQL3C5Q6BN3-{4-[bis(2-chloroethyl)amino]phenoxy}propanoic acid3-[4-[bis(2-chloroethyl)amino]phenoxy]propanoic acidPropionic acid, 3-(p-(bis(2-chloroethyl)amino)phenoxy)-NSC-509803-(p-(Bis(2-chloroethyl)amino)phenoxy)propionic acidDTXSID509136313-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acidPropionic acid, 3-(p-[bis(2-chloroethyl)amino]phenoxy)-POPAM compoundRefChem:92369
Show more names
DTXCID601342633CB 1364NSC 50980BRN 2869783UNII-LQL3C5Q6BNSCHEMBL18372482NSC50980PROPANOIC ACID, 3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)-
Database identifiers
- CAS
92019-83-5- PubChem CID
- 96080
- DTXSID
DTXSID50913631- UNII
- LQL3C5Q6BN
- Nikkaji
- J672.058G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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