Basic information
- CAS
6301-13-9- Standard SMILES
NCCCc1ccc2c(c1)OCO2- InChIKey
CLJLCLGOWKOKJF-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-propanamine
- IUPAC
- 3-(1,3-benzodioxol-5-yl)propan-1-amine
Names & synonyms
78498-59-63-(2H-1,3-benzodioxol-5-yl)propan-1-amine1,3-BENZODIOXOLE-5-PROPANAMINE3-(1,3-benzodioxol-5-yl)propan-1-amine6301-13-93-(1,3-dioxaindan-5-yl)propan-1-amine3-BENZO[1,3]DIOXOL-5-YL-PROPYLAMINEMFCD07374100SCHEMBL1813526SCHEMBL29694229DTXSID00328675CLJLCLGOWKOKJF-UHFFFAOYSA-N
Show more names
DDA49859AKOS006284350AB387443-(1,3-benzodioxol-5-yl)-propyl-amine3-(3,4-methylenedioxyphenyl) propylamineNS-01544EN300-1709928
Database identifiers
- CAS
6301-13-9、78498-59-6- PubChem CID
- 413015
- DTXSID
DTXSID00328675- EC Number
- 884-291-7
- Nikkaji
- J1.270.743F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Related reactions
1 records
Compound notes
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