Basic information
- CAS
52479-15-9- Standard SMILES
CC[NH+](CC)CC[NH2+]CCCC1(C)Oc2cc3ccccc3cc2O1.[Cl-].[Cl-]- InChIKey
SIPBTQZZQIHMNC-UHFFFAOYSA-N- Molecular formula
- C21H32Cl2N2O2
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 414.1840837
Names & identifiers
- Preferred name
- 1,3-Naphtho(2,3-d)dioxole, 2-(3-(2-(diethylamino)ethylamino)propyl)-2-methyl-, dihydrochloride
- IUPAC
- diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride
Names & synonyms
1,3-Naphtho(2,3-d)dioxole, 2-(3-(2-(diethylamino)ethylamino)propyl)-2-methyl-, dihydrochloride2-(3-(2-(Diethylamino)ethylamino)propyl)-2-methyl-1,3-naphtho(2,3-d)dioxole dihydrochloride52479-15-9RefChem:219352
Database identifiers
- CAS
52479-15-9- PubChem CID
- 40394
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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