CAS 2031-23-4 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride (HCID 3014068)

Substructure search Find similar structures

Basic information

CAS: 2031-23-4
Standard SMILES: CN1CCN(CCCCl)CC1.Cl.Cl
InChIKey: RRZYWKLLIIIINP-UHFFFAOYSA-N
Molecular formula: C8H19Cl3N2
Average molar mass: 249.6 g/mol
Monoisotopic mass: 248.061382

Names & identifiers

Preferred name: 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
IUPAC: 1-(3-chloropropyl)-4-methylpiperazine;dihydrochloride

Names & synonyms

1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride2031-23-41-(3-Chloropropyl)-4-methylpiperazine HClEINECS 217-981-8DTXSID40174198RefChem:74321DTXCID6096689217-981-8MFCD00023304piperazine, 1-(3-chloropropyl)-4-methyl-, hydrochloride (1:2)C8H19Cl3N21-(3-Chloropropyl)-4-methylpiperazine 2HCl

Show more names

1-(3-chloropropyl)-4-methylpiperazine;dihydrochloride3-(4-methyl-1-piperazinyl)propyl chloride dihydrochloriden-chloropropyl-n-methylpiperazine1-(3-Chloropropyl)-4-methyl-piperazine Hydrochloride (1:2); 1-Chloro-3-(4-methyl-1-piperazinyl)propane Dihydrochloride; 1-Methyl-4-(3-chloropropyl)piperazine Dihydrochloride; 3-(4-Methylpiperazino)propyl Chloride Dihydrochloride; N-(3-Chloropropyl)-N'-methylpiperazine Dihydrochloride;Piperazine, 1-(3-chloropropyl)-4-methyl-, dihydrochloride1-(3-CHLOROPROPYL)-4-METHYL PIPERAZINE DIHYDROCHLORIDE3-(4-methyl-1-piperAYN63QD5DP

Database identifiers

CAS: 2031-23-4
PubChem CID: 3014068
DTXSID: DTXSID40174198
UNII: AYN63QD5DP
EC Number: 217-981-8

Properties

Computed structural propertiesFilling in

Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 100

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.