1-Butylpiperazine

HCID 424322CAS 5610-49-1

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Basic information

Standard SMILES: CCCCN1CCNCC1
InChIKey: YKSVXVKIYYQWBB-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 1-Butylpiperazine
IUPAC: 1-butylpiperazine
English name: 1-Butylpiperazine
Molecular formula: C8H18N2
Molecular weight: 142.24

Names & synonyms

1-Butylpiperazine5610-49-1DTXSID30329832RefChem:229114DTXCID60203530628-437-81-(N-Butyl)piperazineN-ButylpiperazinePiperazine, 1-butyl-1-(1-butyl)-piperazine1-n-butylpiperazine1-n-butyl-piperazine

Show more names

RARECHEM AH CK 0063TIMTEC-BB SBB0058841-Butylpiperazine >1-(1-BUTYL)-PIPERAZINE1-Butylpiperazine ,98%

1-(1-butyl)piperazineMFCD00039702butylpiperazine1-(But-1-yl)piperazine1-n-butyl piperazinebutyl-piperazine1-butylpiperazin1-butyl-piperazine

Database identifiers

CAS: 5610-49-1
PubChem CID: 424322
DTXSID: DTXSID30329832
EC Number: 628-437-8
Nikkaji: J292.576A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 77

Physicochemical properties

Melting point: 240 °C · >240 °C
Boiling point: 89 °C · 89 °C
Density: 0.903 · 0.903
refractive index: 20 · n20/D 1.466
storage temp.: 2 · 2-8°C, protect from light
pka: 9.27 · 9.27±0.10(Predicted)
form: clear liquid
color: Colorless to Light orange to Yellow
BRN: 103974 · 103974
InChI: 1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3
InChIKey: YKSVXVKIYYQWBB-UHFFFAOYSA-N
SMILES: CCCCN1CCNCC1
CAS DataBase Reference: 5610 · 5610-49-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
F: 10 · 10-34
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

F: 10-34
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H227-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501