Basic information
- CAS
1354953-35-7- Standard SMILES
Cc1nc(CCCN)n[nH]1.Cl- InChIKey
AWNOYXDEBJGGBW-UHFFFAOYSA-N- Molecular formula
- C6H13ClN4
- Average molar mass
- 176.65 g/mol
- Monoisotopic mass
- 176.0828741
Names & identifiers
- Preferred name
- 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride
- IUPAC
- 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
Names & synonyms
3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride1354953-35-7RefChem:493802817-589-23-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochlorideEEC95335AKOS024015485CS-0265115EN300-96537G54904Z12851519403-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-aminehydrochloride
Show more names
3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride,3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
Database identifiers
- CAS
1354953-35-7- PubChem CID
- 56828131
- EC Number
- 817-589-2
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.7
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
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
0 records
No reaction records under the current filter.
Compound notes
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