Basic information
- CAS
27125-60-6- Standard SMILES
CC(C)=CCNc1ccccc1- InChIKey
KTOUJJBMKPFUNA-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- N-(3-methylbut-2-en-1-yl)aniline
- IUPAC
- N-(3-methylbut-2-enyl)aniline
Names & synonyms
n-(3-methylbut-2-en-1-yl)aniline27125-60-6DTXSID00294649RefChem:361449DTXCID10245788899-360-7N-(3-methylbut-2-enyl)anilineNSC97558SCHEMBL563811KTOUJJBMKPFUNA-UHFFFAOYSA-NNSC-97558(3-Methyl-but-2-enyl)-phenyl-amine
Show more names
AKOS026737743
Database identifiers
- CAS
27125-60-6- PubChem CID
- 263186
- DTXSID
DTXSID00294649- EC Number
- 899-360-7
- Nikkaji
- J475.400J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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