CAS 38216-72-7 1-Tert-butylpiperazine (HCID 3530572)

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Basic information

CAS: 38216-72-7
Standard SMILES: CC(C)(C)N1CCNCC1
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 1-Tert-butylpiperazine
IUPAC: 1-tert-butylpiperazine
English name: 1-tert-Butylpiperazine
Molecular formula: C8H18N2
Molecular weight: 142.24

Names & synonyms

1-tert-butylpiperazine38216-72-7DTXSID90393372RefChem:235444DTXCID80344232630-932-9N-tert-Butylpiperazine1-(tert-Butyl)piperazineN-t-ButylpiperazineMFCD000493591-tert-butyl-piperazine1-T-butyl piperazine

Show more names

1-T-BUTYLPIPERAZINE1-tert-Butylpiperazine,97%1-(tert-Butyl)piperazine 98+%1-(tert-Butyl)piperazine, tech1-(1,1-Dimethylethyl)piperazine2-Methyl-2-(piperazin-1-yl)propane

Piperazine, 1-(1,1-dimethylethyl)-tert-butylpiperazinetert-butyl piperazineN-t-butyl piperazine1-tert-butyl piperazine4-tert-butyl-piperazine1,1-dimethylethylpiperazineSCHEMBL104919

Database identifiers

CAS: 38216-72-7
PubChem CID: 3530572
DTXSID: DTXSID90393372
EC Number: 630-932-9

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 98

Physicochemical properties

Melting point: 32 · 32-35℃
Boiling point: 85 · 85-87℃/22mm
Density: 0.89 · 0.890±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.27 · 9.27±0.10(Predicted)
form: Low Melting Solid
color: Colorless to yellow
Sensitive: Light, Air & Moisture Sensitive
InChI: InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
SMILES: N1(C(C)(C)C)CCNCC1
CAS DataBase Reference: 38216 · 38216-72-7(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS09
Signal word: Danger
Hazard statements: 314 · H314-H318-H400

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)；Aquatic Acute 1 (97.8%)

Safety data

ridadr: UN3259
hs_code: 2933599590
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05,GHS09
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Hazard statements: H314-H318-H400
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)