Basic information
- CAS
103262-22-2- Standard SMILES
Nc1ncnn1Cc1ccccc1- InChIKey
FEKTZCRTGOLRRL-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 1-benzyl-1H-1,2,4-triazol-5-amine
- IUPAC
- 2-benzyl-1,2,4-triazol-3-amine
Names & synonyms
1-benzyl-1h-1,2,4-triazol-5-amine103262-22-2RefChem:429737875-322-52-benzyl-1,2,4-triazol-3-amineMLS002920622MFCD16845165NSC144412SCHEMBL16014717AKOS011972669AT28245NSC-144412
Show more names
SMR001798209CS-0284742EN300-3020874Z995040752
Database identifiers
- CAS
103262-22-2- PubChem CID
- 286341
- EC Number
- 875-322-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
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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