Basic information
- 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 properties
- 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)
- CAS DataBase Reference
- 2620 · 2620-50-0(CAS DataBase Reference)
- NIST Chemistry Reference
- Piperonylamine(2620-50-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38-34
- Safety Statements
- 26 · 26-36-28A-23
- RIDADR
- 2735 · UN2735
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29329900 · 29329900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPiperonylamine is a metabolite of dopamine analogs.
Upstream & downstream products
Downstream products
Suppliers50 total
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