CAS 57184-25-5 1-(Cyclopropylmethyl)piperazine (HCID 965875)

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Basic information

CAS: 57184-25-5
Standard SMILES: C1CN(CC2CC2)CCN1
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
Molecular formula: C8H16N2
Average molar mass: 140.23 g/mol
Monoisotopic mass: 140.13134851

Names & identifiers

Preferred name: 1-(Cyclopropylmethyl)piperazine
IUPAC: 1-(cyclopropylmethyl)piperazine
English name: 1-(CYCLOPROPYLMETHYL)PIPERAZINE
Molecular formula: C8H16N2
Molecular weight: 140.23

Names & synonyms

1-(Cyclopropylmethyl)piperazine57184-25-5DTXSID80359487RefChem:226440DTXCID10310541627-571-4MFCD00872053PIPERAZINE, 1-(CYCLOPROPYLMETHYL)-4-(cyclopropylmethyl)piperazine1-(Cyclopropylmethyl)-piperazine1-(Cyclopropylmethyl)piperazine, 97%SY310269

Show more names

Cyclopropylmethyl-piperazin-1-N-(Cyclopropylmethyl)piperazine1-(CYCLOPROPYLMETHYL)PIPERAZINE 97[(Piperazin-1-yl)methyl]cyclopropane1-(Cyclopropylmethyl)piperazine - [C13216]1-(cyclopropylmethyl)piperazine(SALTDATA: FREE)1-(CYCLOPROPYLMETHYL)PIPERAZINE 97 ISO 9001：2015 REACH1-(Cyclopropylmethyl)piperazine, 97% colorless to yellow liquid

(cyclopropylmethyl)piperazine4-(Cyclopropylmethyl)piperazine; N-(Cyclopropylmethyl)piperazine1-CyclopropylmethylpiperazineAMY5266BCP11899FT-06907274-(Cyclopropylmethyl)piperan-cyclopropylmethylpiperazine

Database identifiers

CAS: 57184-25-5
PubChem CID: 965875
DTXSID: DTXSID80359487
UNII: 43CFX85V36
EC Number: 627-571-4
Nikkaji: J526.839G

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 68 °C/3.5 · 68 °C/3.5 mmHg
Density: 0.943 g/mL · 0.943 g/mL at 25 °C
refractive index: 20 · n20/D 1.489
Flash point: 171 °F · 171 °F
storage temp.: 2 · 2-8°C
pka: 9.25 · 9.25±0.10(Predicted)
form: liquid
color: Light brown
InChI: InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
SMILES: N1(CC2CC2)CCNCC1
CAS DataBase Reference: 57184 · 57184-25-5
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 1993 / PGIII
hs_code: 2933599590
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/39
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H335-H318
Hazard Classifications: Eye Dam. 1
Precautionary statements: P280-P305+P351+P338-P210e-P261-P280a-P405-P501a

Chemistry & industry

Applications · 1 item

Uses1-(Cyclopropylmethyl)piperazine is a compound involved in the preparation of N-substituted piperazinopyridylsteroid derivatives as abiraterone analogs that inhibit growth and induce pro-apoptosis in human hormone-independent prostate cancer cell lines.