5-Butyl-1,3,4-oxadiazol-2-amine
Basic information
- CAS
52838-38-7- Standard SMILES
CCCCc1nnc(N)o1- InChIKey
JANUDBLANRHSLI-UHFFFAOYSA-N- Molecular formula
- C6H11N3O
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.09021198
Names & identifiers
- Preferred name
- 5-Butyl-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-butyl-1,3,4-oxadiazol-2-amine
- English name
- 5-BUTYL-1,3,4-OXADIAZOL-2-YLAMINE
- Molecular formula
- C6H11N3O
- Molecular weight
- 141.17
Names & synonyms
5-butyl-1,3,4-oxadiazol-2-amine52838-38-7DTXSID20511880RefChem:302104DTXCID80462687894-460-75-BUTYL-1,3,4-OXADIAZOL-2-YLAMINE5-butyl-1,3,4-oxadiazole-2-ylamine2-amino-5-butyl-1,3,4-oxadiazoleSBB059733AKOS000152642DB-071591
Show more names
1,3,4-Oxadiazol-2-amine, 5-butyl-1,3,4-Oxadiazol-2-amine,5-butyl-(9CI)
ST51044637EN300-42438G35152Z285233900
Database identifiers
- CAS
52838-38-7- PubChem CID
- 12866707
- DTXSID
DTXSID20511880- EC Number
- 894-460-7
- Nikkaji
- J1.570.785B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99
Experimental & physicochemical properties
LogP0.65
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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