N-Allyl-P-anisidine,tech.
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Basic information
- CAS
71954-46-6- Standard SMILES
C=CCNc1ccc(OC)cc1- InChIKey
OISSOJFPFGACLI-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N-Allyl-P-anisidine,tech.
- IUPAC
- 4-methoxy-N-prop-2-enylaniline
- English name
- Benzenamine,4-methoxy-N-2-propen-1-yl-
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-ALLYL-P-ANISIDINE,TECH.RefChem:828955684-801-6N-allyl-4-methoxyaniline71954-46-6Allyl-(4-methoxy-phenyl)-amine4-methoxy-n-(prop-2-en-1-yl)anilineMFCD000260724-methoxy-N-prop-2-enylanilineN-ALLYL-N-(4-METHOXYPHENYL)AMINENSC163070p-methoxy N-allylaniline
Show more names
Benzenamine,4-methoxy-N-2-propen-1-yl-
N-allyl-4-methoxy-anilineN-allyl-4-methoxybenzenamineSCHEMBL1364818CHEMBL3334571SCHEMBL10605024DTXSID80303864OISSOJFPFGACLI-UHFFFAOYSA-NAKOS011422502
Database identifiers
- CAS
71954-46-6- PubChem CID
- 294496
- DTXSID
DTXSID80303864- ChEMBL
CHEMBL3334571- EC Number
- 684-801-6
- Nikkaji
- J475.402F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 126 · 126-127 °C(Press: 0.1 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 4.89 · 4.89±0.50(Predicted)
- Comptox DTXSID
- 80303864 · DTXSID80303864
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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