N-Phenyl-1,3-benzodioxole-5-methanamine
Basic information
- CAS
3526-42-9- Standard SMILES
c1ccc(NCc2ccc3c(c2)OCO3)cc1- InChIKey
YFPTUQPYCPKYRU-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- N-Phenyl-1,3-benzodioxole-5-methanamine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)aniline
Names & synonyms
3526-42-9N-Phenyl-1,3-benzodioxole-5-methanamineRefChem:364746N-(2H-1,3-benzodioxol-5-ylmethyl)anilineN-(1,3-benzodioxol-5-ylmethyl)anilineN-[(2H-1,3-benzodioxol-5-yl)methyl]anilineCBMicro_022456ChemDiv2_000392Oprea1_294845Oprea1_477528SCHEMBL9672474DTXSID401277698
Show more names
HMS1370B18CCG-9683DAA52642AKOS000546387N-(1,3-Dioxaindan-5-ylmethyl)anilineN-[(1,3-dioxaindan-5-yl)methyl]anilineBIM-0022486.P001EU-0041327
Database identifiers
- CAS
3526-42-9- PubChem CID
- 408359
- DTXSID
DTXSID401277698- EC Number
- 982-165-7
- Nikkaji
- J1.036.008K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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