N-(1,3-benzodioxol-5-ylmethyl)cyclopropanamine
Basic information
- CAS
643007-93-6- Standard SMILES
c1cc2c(cc1CNC1CC1)OCO2- InChIKey
HROUFMHZMXWOHI-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-ylmethyl)cyclopropanamine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)cyclopropanamine
- English name
- N-(1,3-Benzodioxol-5-ylmethyl)cyclopropanamine
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
643007-93-6N-(1,3-benzodioxol-5-ylmethyl)cyclopropanamine(1,3-BENZODIOXOL-5-YLMETHYL)CYCLOPROPYLAMINEN-Cyclopropyl-1,3-benzodioxole-5-methanamineSCHEMBL2472951CHEMBL4566842DTXSID40405959STK284065AKOS000284989N-[(2H-1,3-Benzodioxol-5-yl)methyl]cyclopropanamineAKOS LT-1098X3508ZERENEX E/6028659
Show more names
CHEMBRDG-BB 9070849UKRORGSYN-BB BBV-2065988
Database identifiers
- CAS
643007-93-6- PubChem CID
- 4719985
- DTXSID
DTXSID40405959- ChEMBL
CHEMBL4566842
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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