Basic information
- CAS
81561-38-8- Standard SMILES
Cc1ccc(CCC(C)(C)N)cc1- InChIKey
LBORMSBJBMJKEQ-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-(4-methylphenyl)butan-2-amine
- IUPAC
- 2-methyl-4-(4-methylphenyl)butan-2-amine
Names & synonyms
2-methyl-4-(4-methylphenyl)butan-2-amine81561-38-82-Methyl-4-(p-tolyl)butan-2-amineSCHEMBL9427612LBORMSBJBMJKEQ-UHFFFAOYSA-NGDA561383-(4-methylphenyl)-1,1-dimethylpropanamineEN300-1870140
Database identifiers
- CAS
81561-38-8- PubChem CID
- 23322167
- EC Number
- 114-101-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Safety & regulation
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%)
Related reactions
2 records
Compound notes
Loading…