Basic information
- CAS
4720-73-4- Standard SMILES
c1ccc(CNCc2ccc3c(c2)OCO3)cc1- InChIKey
PUBLVNIUFCOQFU-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanamine
- English name
- Benzo[1,3]dioxol-5-ylmethyl-benzyl-amine
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
4720-73-4RefChem:362838N-(Phenylmethyl)-1,3-benzodioxole-5-methanamineBenzo[1,3]dioxol-5-ylmethyl-benzyl-amine1-(Benzo[d][1,3]dioxol-5-yl)-N-benzylmethanamine(2H-1,3-benzodioxol-5-ylmethyl)(benzyl)amine(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)benzylamineN-piperonyl-N-benzylamineTimTec1_008334Oprea1_474497SCHEMBL647938N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanamine
Show more names
1,3-Benzodioxole-5-methanamine, N-(phenylmethyl)-
SCHEMBL5522856CHEMBL4595049PUBLVNIUFCOQFU-UHFFFAOYSA-NHMS1557K18HTS13615SBB018261AKOS000301052DB-087187
Database identifiers
- CAS
4720-73-4- PubChem CID
- 769792
- ChEMBL
CHEMBL4595049- Nikkaji
- J1.853.391J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 130 °C · 130 °C(Press: 0.25 Torr)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- pka
- 8.59 · 8.59±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
3B Scientific Corporation[email protected]
Related reactions
3 records
Compound notes
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