N,N-Diethyl-2,3-dihydro-1,4-benzodioxin-2-methanamine
Basic information
- CAS
952-37-4- Standard SMILES
CCN(CC)CC1COc2ccccc2O1- InChIKey
BGWGNDUTMDMIKZ-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Overview
RN given refers to parent cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- N,N-Diethyl-2,3-dihydro-1,4-benzodioxin-2-methanamine
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine
- English name
- prosympal
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
ProsympalN,N-Diethyl-2,3-dihydro-1,4-benzodioxin-2-methanamine952-37-4DTXSID101214601RefChem:176639DTXCID3016459472-(diethylaminomethyl)-1,4-benzodioxaneFourneau 883Diethylaminomethyl-2-benzodioxanNSC 42174BRN 01909801,4-Benzodioxan, 2-(diethylaminomethyl)-
Show more names
883FFourneau-883N,N-Diethyl-1,4-benzodioxane-2-methanamine
883 F1,4-Benzodioxin-2-methanamine, N,N-diethyl-2,3-dihydro-1, 2-(diethylaminomethyl)-CHEMBL522691,4-BENZODIOXAN-2-METHYLAMINE, N,N-DIETHYL-SCHEMBL10445631, N,N-diethyl-2,3-dihydro-NSC42174
Database identifiers
- CAS
952-37-4- PubChem CID
- 13718
- DTXSID
DTXSID101214601- ChEMBL
CHEMBL52269- Nikkaji
- J14.156I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 200mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 200mg/kg
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Related reactions
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Compound notes
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