Basic information
- CAS
21436-97-5- Standard SMILES
Cc1cc(C)c(N)cc1C.Cl- InChIKey
HPSNPQBFMPYUOD-UHFFFAOYSA-N- Molecular formula
- C9H14ClN
- Average molar mass
- 171.67 g/mol
- Monoisotopic mass
- 171.0814771
Names & identifiers
- Preferred name
- Benzenamine, 2,4,5-trimethyl-, hydrochloride (1:1)
- IUPAC
- 2,4,5-trimethylaniline;hydrochloride
Names & synonyms
2,4,5-Trimethylaniline hydrochloride21436-97-5DTXSID4021399RefChem:561637DTXCID001399Benzenamine, 2,4,5-trimethyl-, hydrochloride (1:1)2,4,5-TRIMETHYLANILINEHYDROCHLORIDE2,4,5-trimethylaniline;hydrochloride2,4,5-Trimethylaniline.HCl2,4,5-Trimethylbenzenamine hydrochloride(2,4,5-trimethylphenyl)azanium;chloride2,4,5-Trimethylaniline Hydrochloride; Aniline, 2,4,5-trimethyl-, hydrochloride (8CI); Benzenamine, 2,4,5-trimethyl-, hydrochloride (9CI); 2,4,5-Trimethylaniline hydrochloride; Pseudocumidine hydrochloride
Show more names
psi-Cumidine hydrochloridePseudocumidine hydrochlorideHPSNPQBFMPYUOD-UHFFFAOYSA-NLEA56666WAA43697(2,4,5-trimethylphenyl)ammonium;chlorideDB-3551691,2,4-Trimethyl-5-aminobenzene hydrochloride
Database identifiers
- CAS
21436-97-5- PubChem CID
- 5284470
- DTXSID
DTXSID4021399
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
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
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazard Classes and Categories
Carcinogenicity - category 1B
Acute toxicity (Oral) - Category 4
Carc. 1B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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