1-[4-(Propan-2-yloxy)phenyl]ethan-1-amine
Basic information
- CAS
103990-05-2- Standard SMILES
CC(C)Oc1ccc(C(C)N)cc1- InChIKey
QDLPHPPYMUBDRB-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 1-[4-(Propan-2-yloxy)phenyl]ethan-1-amine
- IUPAC
- 1-(4-propan-2-yloxyphenyl)ethanamine
- English name
- TIMTEC-BB SBB010642
- Molecular formula
- C11H17NO
- Molecular weight
- 179.25878
Names & synonyms
1-[4-(propan-2-yloxy)phenyl]ethan-1-amine1-(4-(propan-2-yloxy)phenyl)ethan-1-amineRefChem:424496866-141-2103990-05-21-(4-Isopropoxy-phenyl)-ethylamine1-(4-Isopropoxyphenyl)ethanamine1-(4-propan-2-yloxyphenyl)ethanamine1-(4-isopropoxyphenyl)ethan-1-amineMFCD01732446BRN 3244423p-Isopropoxy-alpha-methylbenzylamine
Show more names
TIMTEC-BB SBB010642α-Methyl-4-(1-methylethoxy)benzenemethanamineBenzenemethanamine, α-methyl-4-(1-methylethoxy)-
BENZYLAMINE, p-ISOPROPOXY-alpha-METHYL-SCHEMBL8284928DTXSID50908709DEA99005MYB07833SBB0106421-[4-(methylethoxy)phenyl]ethylamineAKOS000131840
Database identifiers
- CAS
103990-05-2- PubChem CID
- 59803
- DTXSID
DTXSID50908709- EC Number
- 866-141-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 269.3 · 269.3±23.0 °C(Predicted)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
- pka
- 9.46 · 9.46±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H314
- Precautionary statements
- 260 · P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
- 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.
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H335-H314
- Precautionary statements
- P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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