Basic information
- CAS
6314-69-8- Standard SMILES
CN(C)CCN(Cc1ccccc1)c1nc2ccccc2o1.Cl- InChIKey
JOKATFFVOZHQLE-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.14514
Names & identifiers
- Preferred name
- Oxadimedine hydrochloride
- IUPAC
- N'-(1,3-benzoxazol-2-yl)-N'-benzyl-N,N-dimethylethane-1,2-diamine;hydrochloride
Names & synonyms
Oxadimedine hydrochlorideOxadimedine HClUNII-QHX1EZ6B546314-69-8QHX1EZ6B54NSC-23001DTXSID20212486N-(Benzoxazolyl)-N-benzyl-N,N-dimethylethylenediamine hydrochlorideNSC 23001N,N-Dimethyl-N-benzyl-N-(2-benzoxazolylethylendiamin) hydrochlorid1,2-ETHANEDIAMINE, N1-2-BENZOXAZOLYL-N2,N2-DIMETHYL-N1-(PHENYLMETHYL)-, HYDROCHLORIDE (1:1)RefChem:168778
Show more names
DTXCID20134977CHEMBL2106995NSC23001Q272872671, N-2-benzoxazolyl-N',N'-dimethyl-N-(phenylmethyl)-, monohydrochlorideN~1~-(1,3-Benzoxazol-2-yl)-N~1~-benzyl-N~2~,N~2~-dimethylethane-1,2-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
6314-69-8- PubChem CID
- 167464
- DTXSID
DTXSID20212486- ChEMBL
CHEMBL2106995- UNII
- QHX1EZ6B54
Properties
Computed structural properties
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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