2-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
Basic information
- CAS
1185297-13-5- Standard SMILES
CC(C(=O)O)n1cncn1.Cl- InChIKey
SARYQFBPYCQDCA-UHFFFAOYSA-N- Molecular formula
- C5H8ClN3O2
- Average molar mass
- 177.59 g/mol
- Monoisotopic mass
- 177.0305042
Names & identifiers
- Preferred name
- 2-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
- IUPAC
- 2-(1,2,4-triazol-1-yl)propanoic acid;hydrochloride
- English name
- 2-[1,2,4]Triazol-1-yl-propionic acidhydrochloride
- Molecular formula
- C5H8ClN3O2
- Molecular weight
- 177.59
Names & synonyms
1185297-13-52-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochlorideRefChem:451336971-935-82-[1,2,4]Triazol-1-yl-propionic acid hydrochloride2-[1,2,4]Triazol-1-yl-propionic acidhydrochloride2-(1,2,4-triazol-1-yl)propanoic acid hydrochloride2-(1,2,4-triazol-1-yl)propanoic acid;hydrochlorideKXB29713AKOS015849341AT12355CS-0308470
Show more names
1H-1,2,4-Triazole-1-acetic acid, α-methyl-, hydrochloride
ST50401647EN300-1212902-(1H-1,2,4-triazol-1-yl)propanoicacidhydrochloride2-(1H-1,2,4-TRIAZOL-1-YL)PROPANOIC ACID HCL1H-1,2,4-Triazole-1-acetic acid, |A-methyl-, hydrochloride1H-1,2,4-Triazole-1-acetic acid, alpha-methyl-, hydrochloride
Database identifiers
- CAS
1185297-13-5- PubChem CID
- 45075154
- EC Number
- 971-935-8
Properties
Computed structural properties
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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