Basic information
- CAS
1248907-88-1- Standard SMILES
CC(C)CC1CN(C)CCN1- InChIKey
WOYCNJCWZDPJKK-UHFFFAOYSA-N- Molecular formula
- C9H20N2
- Average molar mass
- 156.27 g/mol
- Monoisotopic mass
- 156.16264865
Names & identifiers
- Preferred name
- 3-Isobutyl-1-methylpiperazine
- IUPAC
- 1-methyl-3-(2-methylpropyl)piperazine
Names & synonyms
3-isobutyl-1-methylpiperazine1248907-88-1RefChem:502796820-209-81-methyl-3-(2-methylpropyl)piperazine3-isobutyl-1-methyl-piperazineSCHEMBL13859630YZB90788AKOS014162290CS-0241616EN300-235193G57265
Show more names
F2147-0835
Database identifiers
- CAS
1248907-88-1- PubChem CID
- 64833232
- EC Number
- 820-209-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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