Basic information
- CAS
1092797-60-8- Standard SMILES
CCCC(N)c1ccc2c(c1)OCCO2.Cl- InChIKey
LUAIJGNHDQWSJP-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)butan-1-amine hydrochloride
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine;hydrochloride
- English name
- 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-butylaminehydrochloride
- Molecular formula
- C12H18ClNO2
- Molecular weight
- 243.73
Names & synonyms
1092797-60-81-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)butan-1-amine hydrochloride1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-butylamine hydrochloride1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-butylaminehydrochloride1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine;hydrochloride1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine hydrochlorideAKOS015848612CS-0297024EN300-239529F2167-19461-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)butan-1-aminehydrochloride
Database identifiers
- CAS
1092797-60-8- PubChem CID
- 45075152
Properties
Computed structural properties
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- 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
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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