CAS 13961-36-9 1-Allylpiperazine (HCID 806422)

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Basic information

CAS: 13961-36-9
Standard SMILES: C=CCN1CCNCC1
InChIKey: ZWAQJGHGPPDZSF-UHFFFAOYSA-N
Molecular formula: C7H14N2
Average molar mass: 126.2 g/mol
Monoisotopic mass: 126.11569845

Names & identifiers

Preferred name: 1-Allylpiperazine
IUPAC: 1-prop-2-enylpiperazine
English name: 1-ALLYLPIPERAZINE
Molecular formula: C7H14N2
Molecular weight: 126.2

Names & synonyms

1-Allylpiperazine13961-36-9DTXSID40355566RefChem:227405DTXCID10306626625-179-81-Allyl-piperazine1-prop-2-enylpiperazine1-(prop-2-en-1-yl)piperazinePiperazine, 1-(2-propen-1-yl)-MFCD001679701-allylpiperazin

Show more names

AKOS BB-5484Allylpiperazin1-Allyl piperzineN-ALLYL PIPERAZINETIMTEC-BB SBB010066RARECHEM AH CK 00171-Allylpiperazine97%1-Allylpiperazine 97%1-Allylpiperazine,99%

N-allylpiperazinePiperazine,1-(2-propen-1-yl)-SCHEMBL169700STK488080AKOS000194343prop-2-enylpiperazinePS-5839A3172

Database identifiers

CAS: 13961-36-9
PubChem CID: 806422
DTXSID: DTXSID40355566
EC Number: 625-179-8
Nikkaji: J2.319.268C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 84.9

Physicochemical properties

Boiling point: 181 · 181-182 °C(lit.)
Density: 0.902 g/mL · 0.902 g/mL(lit.)
refractive index: 20 · n20/D 1.4830(lit.)
Flash point: 125 °F · 125 °F
storage temp.: 2 · 2-8°C, protect from light
form: Liquid
pka: 9.2 · 9.20±0.10(Predicted)
color: Clear light yellow
Sensitive: Air Sensitive
BRN: 507447 · 507447
CAS DataBase Reference: 13961 · 13961-36-9(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H226-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310-P210-P260h-P303+P361+P353-P405-P501a
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

Safety data

F: 10-23-34
wgk: 3
ridadr: UN 2734 8/PG 2
hs_code: 29339900
risk_code: 10-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H318-H226-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280-P305+P351+P338-P310-P210-P260h-P303+P361+P353-P405-P501a