N-Propylpiperazinium dibromide

HCID 3085288

Notes Reactions

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Basic information

CAS: 64262-23-3
Standard SMILES: Br.Br.CCCN1CCNCC1
InChIKey: YTPQLWVHCBATKO-UHFFFAOYSA-N
Molecular formula: C7H18Br2N2
Average molar mass: 290.04 g/mol
Monoisotopic mass: 287.98367278

Names & identifiers

Preferred name: N-Propylpiperazinium dibromide
IUPAC: 1-propylpiperazine;dihydrobromide
English name: 1-n-Propylpiperazine dihydrobromide
Molecular formula: C7H18Br2N2
Molecular weight: 290.04

Names & synonyms

64262-23-3N-Propylpiperazinium dibromideEINECS 264-759-1DTXSID60214484RefChem:164169DTXCID60136975264-759-11-Propylpiperazine Dihydrobromide1-N-Propylpiperazine DihydrobromideC7H18Br2N2MFCD000519921-propylpiperazine;dihydrobromide

Show more names

1-Propyl-piperazine 2HBr1-N-PROPYLPIPERAZINE HYDROBROMIDE1-PropylpiperazineDihydrobromide>1-n-Propylpiperazine dihydrobromide1-(1-Propyl)piperazine dihydrobromide1-propyl-Piperazine hydrobromide (1:2)

1-N-PROPYLPIPERAZINE 2HBRPiperazine, 1-propyl-, dihydrobromideN-propylpiperazine dihydrobromideSCHEMBL4522461-PropylpiperazineDihydrobromide1-n-propyl-piperazine dihydrobromideP1645(2-Phenyloxazol-4-yl)-methanol

Database identifiers

CAS: 64262-23-3
PubChem CID: 3085288
DTXSID: DTXSID60214484
UNII: Y5EFZ3XVD3
EC Number: 264-759-1

Properties

Computed structural properties

Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 67.3

Physicochemical properties

Melting point: 259.5 · 259.5-264.5 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: 50 mg/mL, · water: soluble50mg/mL, clear, colorless
form: powder to crystal
color: White to Almost white
Water Solubility: 50 mg/mL, · water: soluble 50mg/mL, clear, colorless
Sensitive: Hygroscopic
BRN: 3678528 · 3678528
InChI: 1S/C7H16N2.2BrH/c1-2-5-9-6-3-8-4-7-9;;/h8H,2-7H2,1H3;2*1H
InChIKey: YTPQLWVHCBATKO-UHFFFAOYSA-N
SMILES: Br.Br.CCCN1CCNCC1
CAS DataBase Reference: 64262 · 64262-23-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29335995 · 29335995
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29335995
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-n-Propylpiperazine dihydrobromide was used in the synthesis of amidines and sulfonamides of 5-and 6-amino-2,3-bis(4-alkyl-1-piperazazinyl)quinoxalines.

General Description1-n-Propylpiperazine dihydrobromide reacts with potassium thiocyanate to yield 1-(4-n-propyl)piperazine thioamide.