Basic information
- CAS
67309-37-9- Standard SMILES
CC(C)(C)C(N)Cc1ccccc1- InChIKey
OTRQGAZWLJRILG-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-phenylbutan-2-amine
- IUPAC
- 3,3-dimethyl-1-phenylbutan-2-amine
- English name
- 1-Phenyl-2-amino-3,3-dimethylbutane
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
3,3-dimethyl-1-phenylbutan-2-amineRefChem:485463849-788-567309-37-91-Phenyl-2-amino-3,3-dimethylbutane(Trimethylamphetamin)SCHEMBL3843513SCHEMBL22733527DTXSID90874358A-T-BUTYL BENZENEETHANEAMINESCA30937EN300-83241
Show more names
Benzeneethanamine, α-(1,1-dimethylethyl)-
G59262
Database identifiers
- CAS
67309-37-9- PubChem CID
- 3742016
- DTXSID
DTXSID90874358- EC Number
- 849-788-5
- Nikkaji
- J620.628J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
LogP2.91
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-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
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
- H318-H315-H335-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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