Benzo-1,3-dioxole-5-methylamine
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Basic information
- CAS
2620-50-0- Standard SMILES
NCc1ccc2c(c1)OCO2- InChIKey
ZILSBZLQGRBMOR-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- Benzo-1,3-dioxole-5-methylamine
- IUPAC
- 1,3-benzodioxol-5-ylmethanamine
- English name
- Piperonylamine
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
1,3-Benzodioxole-5-methanamineBenzo-1,3-dioxole-5-methylamineEINECS 220-056-1NSC 75851DTXSID00180836RefChem:565211DTXCID40103327220-056-12620-50-0benzo[d][1,3]dioxol-5-ylmethanamine3,4-Methylenedioxybenzylamine1,3-Benzodioxol-5-ylmethanamine
Show more names
LABOTEST-BB LTBB000693PIPERONYLAMINEAKOS BBS-00003588BUTTPARK 98\04-02Piperonylamine>Piperonylamine,97%
3,4-(Methylenedioxy)benzylamine1-(1,3-benzodioxol-5-yl)methanamine5-(Aminomethyl)-1,3-benzodioxole5-Aminomethyl-1,3-benzodioxoleMFCD00005840SCHEMBL11082938(1,3-dioxaindan-5-yl)methanamineNSC-75851
Database identifiers
- CAS
2620-50-0- PubChem CID
- 75799
- DTXSID
DTXSID00180836- UNII
- 2HC7X6T2RR
- EC Number
- 220-056-1
- Nikkaji
- J154F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 138 · 138-139 °C13 mm Hg(lit.)
- Density
- 1.214 g/mL · 1.214 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.564(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Liquid
- pka
- 9.4 · 9.40±0.40(Predicted)
- color
- Clear yellow
- Specific Gravity
- 1.22 · 1.22
- Water Solubility
- 0.9 g/100 · 0.9 g/100 mL
- Sensitive
- Air Sensitive
- BRN
- 136996 · 136996
- InChI
- 1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
- InChIKey
- ZILSBZLQGRBMOR-UHFFFAOYSA-N
- SMILES
- NCc1ccc2OCOc2c1
- LogP
- 0.95 · 0.950 (est)
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
This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.
Danger
H314 (11.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (11.5%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2735
- hs_code
- 29329900
- risk_code
- 36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36-28A-23
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
Chemistry & industry
Applications
UsesPiperonylamine is a metabolite of dopamine analogs.
Upstream & downstream products
Downstream products
Related reactions
1,667 records
Compound notes
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