Basic information
- CAS
34919-66-9- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CC(C)(Oc1ccc(N(CCCl)CCCl)cc1)C(=O)O- InChIKey
SWGFIAPTKLELBN-UHFFFAOYSA-N- Molecular formula
- C26H42Cl2N2O3
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 500.2572486
Overview
structure
Names & identifiers
- Preferred name
- Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate
- IUPAC
- 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid;N-cyclohexylcyclohexanamine
Names & synonyms
34919-66-96FA4JHJ3UFNSC-135062Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionateRefChem:133242NSC 135062NSC135062DTXSID109563872-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid;N-cyclohexylcyclohexanamine2-{4-[Bis(2-chloroethyl)amino]phenoxy}-2-methylpropanoic acid--N-cyclohexylcyclohexanamine (1/1)
Database identifiers
- CAS
34919-66-9- PubChem CID
- 282010
- DTXSID
DTXSID10956387- UNII
- 6FA4JHJ3UF
Properties
Computed structural properties
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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