N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
Basic information
- CAS
889939-87-1- Standard SMILES
COc1ccc(N(C)CCCN)cc1- InChIKey
SWAHHPHRIXRSOJ-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
- IUPAC
- N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
- English name
- N1-(4-Methoxy-phenyl)-N1-methyl-propane-1,3-diamine
- Molecular formula
- C11H18N2O
- Molecular weight
- 194.27
Names & synonyms
889939-87-1N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamineN1-(4-Methoxyphenyl)-N1-methylpropane-1,3-diamineN*1*-(4-Methoxy-phenyl)-N*1*-methyl-propane-1,3-diamineN-(3-aminopropyl)-4-methoxy-N-methylanilineN1-(4-METHOXY-PHENYL)-N1-METHYL-PROPANE-1,3-DIAMINEDTXSID80424720SBB120524AKOS000112597(3-aminopropyl)(4-methoxyphenyl)methylamineST50401677N~1~-(4-Methoxyphenyl)-N~1~-methylpropane-1,3-diamine
Show more names
AKOS BC-20011,3-Propanediamine, N1-(4-methoxyphenyl)-N1-methyl-
Database identifiers
- CAS
889939-87-1- PubChem CID
- 6504249
- DTXSID
DTXSID80424720
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 144
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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