Basic information
- CAS
86926-54-7- Standard SMILES
C=CCNCc1ccc(C)cc1- InChIKey
PRUULPKRGUFODM-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- ((4-Methylphenyl)methyl)(prop-2-en-1-yl)amine
- IUPAC
- N-[(4-methylphenyl)methyl]prop-2-en-1-amine
- English name
- CHEMBRDG-BB 9070773
- Molecular formula
- C11H15N
- Molecular weight
- 161.24
Names & synonyms
[(4-methylphenyl)methyl](prop-2-en-1-yl)amine((4-Methylphenyl)methyl)(prop-2-en-1-yl)amineRefChem:390221969-610-086926-54-7N-(4-METHYLBENZYL)-2-PROPEN-1-AMINEN-[(4-methylphenyl)methyl]prop-2-en-1-amineN-(4-methylbenzyl)prop-2-en-1-amineMFCD07406231SCHEMBL19700185DTXSID40405914LDA92654
Show more names
AKOS LT-1067X0686CHEMBRDG-BB 9070773UKRORGSYN-BB BBV-117231Benzenemethanamine, 4-methyl-N-2-propen-1-yl-N-(4-methylbenzyl)-2-propen-1-amine(SALTDATA: HCl)[(4-methylphenyl)methyl](prop-2-en-1-yl)amine hydrochloride
STK513135N-(p-tolylmethyl)prop-2-en-1-amineAKOS000224477NCGC00327493-01AB01322472-02EN300-6478440
Database identifiers
- CAS
86926-54-7- PubChem CID
- 4717876
- DTXSID
DTXSID40405914- EC Number
- 969-610-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 239.8 · 239.8±9.0 °C(Predicted)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- pka
- 9.12 · 9.12±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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