Completing data — usually done within a minute
Basic information
- CAS
21404-94-4- Standard SMILES
CC(C)(CN)c1ccccc1.Cl- InChIKey
RORCPASRNRYEDG-UHFFFAOYSA-N- Molecular formula
- C10H16ClN
- Average molar mass
- 185.69 g/mol
- Monoisotopic mass
- 185.09712719
Names & identifiers
- Preferred name
- Phenethylamine, beta,beta-dimethyl-, hydrochloride
- IUPAC
- 2-methyl-2-phenylpropan-1-amine;hydrochloride
Names & synonyms
21404-94-42-methyl-2-phenylpropan-1-amine hydrochloridePhenethylamine, beta,beta-dimethyl-, hydrochlorideDimethyl-beta-phenethylamine hydrochlorideDTXSID50175676RefChem:860589DTXCID7098167819-564-12-methyl-2-phenylpropan-1-amine;hydrochloride2-methyl-2-phenylpropylamine hydrochlorideorb3029716SCHEMBL3052766
Show more names
Fr21285LRORCPASRNRYEDG-UHFFFAOYSA-NWAA40494EBC-605184beta,beta-dimethylphenethylamine hydrochlorideEN300-299404G307752-Methyl-2-phenylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
21404-94-4- PubChem CID
- 210601
- DTXSID
DTXSID50175676- EC Number
- 819-564-1
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
3 records
Compound notes
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