Basic information
- CAS
1342026-48-5- Standard SMILES
CC(C)Oc1cnc(CN)cn1- InChIKey
KMBYPOQMHIVTQY-UHFFFAOYSA-N- Molecular formula
- C8H13N3O
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.10586205
Names & identifiers
- Preferred name
- [5-(Propan-2-yloxy)pyrazin-2-yl]methanamine
- IUPAC
- (5-propan-2-yloxypyrazin-2-yl)methanamine
- English name
- 1-[5-(propan-2-yloxy)pyrazin-2-yl]methanamine
- Molecular formula
- C8H13N3O
- Molecular weight
- 167.21
Names & synonyms
[5-(propan-2-yloxy)pyrazin-2-yl]methanamine1342026-48-5(5-(propan-2-yloxy)pyrazin-2-yl)methanamineRefChem:403685868-596-2(5-Isopropoxypyrazin-2-yl)methanamineAKOS013609488CS-0234893EN300-1493472-Pyrazinemethanamine, 5-(1-methylethoxy)-5-(propan-2-yloxy)pyrazin-2-yl]methanamine1-[5-(propan-2-yloxy)pyrazin-2-yl]methanamine
Database identifiers
- CAS
1342026-48-5- PubChem CID
- 64287828
- EC Number
- 868-596-2
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 258.3 · 258.3±35.0 °C(Predicted)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- pka
- 6.43 · 6.43±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H314-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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