Basic information
- CAS
4442-60-8- Standard SMILES
CCCCNCC1COc2ccccc2O1- InChIKey
ODRQYAHPAJZPQP-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Butamoxan
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
- English name
- Btuamoxane
- Molecular weight
- 0
Names & synonyms
Butamoxan2-(Butylaminomethyl)-1,4-benzodioxanRefChem:917729Butamoxane4442-60-8BtuamoxaneButamoxane [INN]ButamoxanumButamoxanoButyl[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amineN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine2-(Butylaminomethyl)-1,4-benzodioxane
Show more names
N-Butyl-1,4-benzodioxane-2-methanamineN-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)butan-1-amine
7725983GSDn-ButylaminomethylbenzodioxanFourneau 1052Butamoxanum [INN-Latin]Butamoxano [INN-Spanish]BRN 01910541052FUNII-7725983GSD
Database identifiers
- CAS
4442-60-8- PubChem CID
- 20504
- DTXSID
DTXSID00863399- ChEMBL
CHEMBL2104674- UNII
- 7725983GSD
- Nikkaji
- J22.122H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- FDA UNII
- 7725983 GSD · 7725983GSD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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