Basic information
- CAS
1000504-84-6- Standard SMILES
COCc1ccc(CCN)cc1- InChIKey
KTDXXMJLLJJABP-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 2-(4-(Methoxymethyl)phenyl)ethan-1-amine
- IUPAC
- 2-[4-(methoxymethyl)phenyl]ethanamine
Names & synonyms
2-[4-(methoxymethyl)phenyl]ethan-1-amine1000504-84-62-(4-(Methoxymethyl)phenyl)ethan-1-amineRefChem:456529865-499-7SCHEMBL1049690AQB50484AKOS006310944EN300-1838879
Database identifiers
- CAS
1000504-84-6- PubChem CID
- 21831817
- EC Number
- 865-499-7
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
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]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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