Basic information
- CAS
5308-28-1- Standard SMILES
CC(C)CN1CCNCC1- InChIKey
HUUQNWZMQSLPMX-UHFFFAOYSA-N- Molecular formula
- C8H18N2
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.14699858
Names & identifiers
- Preferred name
- 1-(2-Methylpropyl)piperazine
- IUPAC
- 1-(2-methylpropyl)piperazine
- English name
- N-Isobutyl piperazine
- Molecular formula
- C8H18N2
- Molecular weight
- 142.24
Names & synonyms
1-(2-methylpropyl)piperazineRefChem:422545673-561-81-isobutylpiperazine5308-28-1N-isobutylpiperazine1-isobutyl-piperazinen-isobutyl piperazineMFCD001905961-(2-Methylpropyl)-piperazinePiperazine, 1-(2-methylpropyl)-N-Isobutyliperazine
Show more names
IFLAB-BB F1929-1684N-Isobutyl piperazine ISO 9001：2015 REACHN-iso-Butyl piperazine 1-iso-Butylpiperazine1-(2-METHYLPROPYL)-PIPERAZINE, 1-ISOBUTYL-PIPERAZINE
Isobutylpiperazin(2-methylpropyl)piperazineSCHEMBL208440SCHEMBL654972N-Isobutyl Piperazine Alias :SCHEMBL4376942SCHEMBL6198611SCHEMBL6199697
Database identifiers
- CAS
5308-28-1- PubChem CID
- 2052052
- DTXSID
DTXSID80366010- EC Number
- 673-561-8
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.3
Physicochemical properties
- Boiling point
- 65 °C · 65°C (10 mmHg)
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.27 · 9.27±0.10(Predicted)
- Appearance
- Colorless to off-white Solid-Liquid Mixture
- CAS DataBase Reference
- 5308 · 5308-28-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-Isobutyl piperazine is used as rifabutin side chain, used as a side chain in rifamycin antibiotics and quinolone drugs.
Suppliers67 total
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
26 records
Compound notes
Loading…