2-Piperazinylpyrimidine dihydrochloride

HCID 11680272

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Basic information

CAS: 94021-22-4
Standard SMILES: Cl.Cl.c1cnc(N2CCNCC2)nc1
InChIKey: ZNZGJSLHXOMREP-UHFFFAOYSA-N
Molecular formula: C8H14Cl2N4
Average molar mass: 237.13 g/mol
Monoisotopic mass: 236.05955181

Names & identifiers

Preferred name: 2-Piperazinylpyrimidine dihydrochloride
IUPAC: 2-piperazin-1-ylpyrimidine;dihydrochloride
English name: 2-(1-Piperazinyl)pyrimidine dihydrochloride
Molecular formula: C8H14Cl2N4
Molecular weight: 237.13

Names & synonyms

94021-22-42-Piperazinylpyrimidine dihydrochloride2-Piperazinylpyrimidine HClEINECS 301-415-2DTXSID70240234RefChem:89124DTXCID70162725301-415-22-(1-Piperazinyl)pyrimidine dihydrochloride1-(2-PYRIMIDYL)PIPERAZINE DIHYDROCHLORIDE2-(Piperazin-1-yl)pyrimidine dihydrochloride1-(2-pyrimidinyl)piperazine dihydrochloride

Show more names

TIMTEC-BB SBB0032361-(2-Pyrimidyl)piperazine2HCl2-(1-Piperazinyl)pyrimidine DiHCl2-(Piperazin-1-yl)pyrimidine Dihydr2-PIPERAZINOPYRIMIDINE DIHYDROCHLORIDE1-(2-PYRIMIDYL)PIPERAZINE DIHYDROCHLORI&2-Piperazin-1-yl-pyrimidine Dihydrochloride1-(2-Pyrimidyl)piperazineDihydrochloride>2-(1-Piperazinyl)pyrimidine dihydrochloride

2-piperazin-1-ylpyrimidine DihydrochlorideMFCD000127792-piperazin-1-ylpyrimidine;dihydrochloridePyrimidine, 2-(1-piperazinyl)-, dihydrochloride2-(1-PIPERAZINYL)PYRIMIDINE 2HCL1-(2-pyrimidyl) piperazine dihydrochloride1-(2-Pyrimidyl)-piperazine dihydrochlorideN-(2-pyrimidinyl)piperazine dihydrochloride

Database identifiers

CAS: 94021-22-4
PubChem CID: 11680272
DTXSID: DTXSID70240234
UNII: SLC2P2PLG8
EC Number: 301-415-2

Properties

Computed structural properties

Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 282 · 282-287 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: White to very slightly beige
Sensitive: Hygroscopic
BRN: 151178 · 151178
InChI: 1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H
InChIKey: ZNZGJSLHXOMREP-UHFFFAOYSA-N
SMILES: Cl[H].Cl[H].C1CN(CCN1)c2ncccn2
CAS DataBase Reference: 94021 · 94021-22-4(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
RTECS: 9702000 · UV9702000
F: 3 · 3-10
HS Code: 29335990 · 29335990
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 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: UV9702000
hs_code: 29335990
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-(2-Pyrimidinyl)piperazine-d8 (2-Piperazinylpyrimidine-d8) dihydrochloride is deuterium-labeled 1-(2-Pyrimidinyl)piperazine dihydrochloride (HY-W004148)[1].