2-Methoxy-2-phenylethan-1-amine
Basic information
- CAS
3490-79-7- Standard SMILES
COC(CN)c1ccccc1- InChIKey
SPEHWYVPDGLETG-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 2-Methoxy-2-phenylethan-1-amine
- IUPAC
- 2-methoxy-2-phenylethanamine
- English name
- Benzeneethanamine, b-methoxy-
- Molecular formula
- C9H13NO
- Molecular weight
- 151.20562
Names & synonyms
2-methoxy-2-phenylethan-1-amine3490-79-7RefChem:474178821-404-02-methoxy-2-phenylethanamineMFCD09802158(S)-2-Methoxy-2-phenylethanamine2-methoxy-2-phenylethylamineSCHEMBL9136202-methoxy-2-phenyl-ethanamineDAA49079MFCD20694643
Show more names
Benzeneethanamine, β-methoxy-2-Methoxy-2-phenyl-ethylamineBenzeneethanamine, b-methoxy-
SBB083985AKOS005217071EBC-612891NCGC00334180-01BS-13454SY286579EN300-52312AB01326947-02
Database identifiers
- CAS
3490-79-7- PubChem CID
- 409782
- EC Number
- 821-404-0
- Nikkaji
- J711.682I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Boiling point
- 111 · 111-116 °C(Press: 20 Torr)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 8.06 · 8.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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