Basic information
- CAS
104178-98-5- Standard SMILES
CCC(NC)c1ccccc1OC- InChIKey
AQJWUFYHPCPVOG-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- [1-(2-Methoxyphenyl)propyl](methyl)amine
- IUPAC
- 1-(2-methoxyphenyl)-N-methylpropan-1-amine
- English name
- [1-(2-methoxyphenyl)propyl](methyl)amine
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
[1-(2-methoxyphenyl)propyl](methyl)amine104178-98-51-(2-methoxyphenyl)-N-methylpropan-1-amine1-(2-methoxyphenyl)-N-methyl-propan-1-amineSCHEMBL11072715EEA17898CS-0239490EN300-213815Benzenemethanamine, α-ethyl-2-methoxy-N-methyl-
Database identifiers
- CAS
104178-98-5- PubChem CID
- 71472
- EC Number
- 155-228-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 255.8 · 255.8±23.0 °C(Predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.20(Predicted)
- 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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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