1-(4-Ethoxyphenyl)ethan-1-amine
Basic information
- CAS
104294-63-5- Standard SMILES
CCOc1ccc(C(C)N)cc1- InChIKey
LQISONQSSGPXMA-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 1-(4-Ethoxyphenyl)ethan-1-amine
- IUPAC
- 1-(4-ethoxyphenyl)ethanamine
- English name
- 1-(4-ETHOXYPHENYL)ETHANAMINE
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
104294-63-51-(4-ethoxyphenyl)ethan-1-amineDTXSID50908906RefChem:425393DTXCID20985784829-781-31-(4-ethoxyphenyl)ethanamineMFCD011232611-(4-Ethoxy-phenyl)-ethylamine1-(4-ethoxyphenyl)ethylamineBRN 3239767p-Ethoxy-alpha-methylbenzylamine
Show more names
4-Ethoxy-α-methylbenzenemethanamineBenzenemethanamine, 4-ethoxy-α-methyl-4-Ethoxy-alpha-methyl-benzenemethanamine1-(4-ethoxyphenyl)ethanamine(SALTDATA: HCl)Benzenemethanamine, 4-ethoxy-.alpha.-methyl-
Benzenemethanamine, 4-ethoxy-alpha-methyl-, (alphaR)-Benzenemethanamine,4-ethoxy-a-methyl-BENZYLAMINE, p-ETHOXY-alpha-METHYL-Oprea1_086219Oprea1_852270SCHEMBL6896383SCHEMBL8285036SCHEMBL9245867
Database identifiers
- CAS
104294-63-5- PubChem CID
- 59831
- DTXSID
DTXSID50908906- EC Number
- 829-781-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 200 · 200-205 °C(Press: 33 Torr)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.31 · 9.31±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
- Toxicity
- 50 · mouse,LD50,intraperitoneal,180mg/kg (180mg/kg),Biochemical Pharmacology. Vol. 2, Pg. 264, 1959.
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
- Toxicity
- mouse,LD50,intraperitoneal,180mg/kg (180mg/kg),Biochemical Pharmacology. Vol. 2, Pg. 264, 1959.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Compound notes
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