Completing data — refresh the page later to see the latest
Basic information
- CAS
83171-41-9- Standard SMILES
C=CCOc1ccc(CN)cc1- InChIKey
BQJOKMLXFZHRFX-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 4-(2-Propen-1-yloxy)benzenemethanamine
- IUPAC
- (4-prop-2-enoxyphenyl)methanamine
- English name
- (4-(allyloxy)phenyl)methanamine
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
83171-41-94-(2-Propen-1-yloxy)benzenemethanamineRefChem:287423(4-(allyloxy)phenyl)methanamine[4-(prop-2-en-1-yloxy)phenyl]methanamine(4-prop-2-enoxyphenyl)methanamine4-(allyloxy)benzylaminestarbld00474291-[4-(Prop-2-en-1-yloxy)phenyl]methanamineSCHEMBL1554492SCHEMBL27982338SCHEMBL27982800
Show more names
Benzenemethanamine, 4-(2-propen-1-yloxy)-
BQJOKMLXFZHRFX-UHFFFAOYSA-NDTXSID301284909IDA17141DA-02532EN300-208239G538631-{4-[(Prop-2-en-1-yl)oxy]phenyl}methanamine
Database identifiers
- CAS
83171-41-9- PubChem CID
- 21843620
- DTXSID
DTXSID301284909- EC Number
- 885-798-6
- Nikkaji
- J1.676.727A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- 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
- 128
Physicochemical properties
- Boiling point
- 273.8 · 273.8±20.0 °C(Predicted)
- Density
- 1.01 · 1.010±0.06 g/cm3(Predicted)
- pka
- 9.29 · 9.29±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H318-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses[4-(Prop-2-en-1-yloxy)phenyl]methanamine is a useful reagent in the preparation of novel 3-aminomethylindole derivatives, which functions as potential multifunctional anti-Inflammatory and neurotrophic agents.
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
3 records
Compound notes
Loading…