1,4-Piperazinediethylamine

HCID 81020CAS 6531-38-0
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCN1CCN(CCN)CC1
InChIKey
PAOXFRSJRCGJLV-UHFFFAOYSA-N
Molecular formula
C8H20N4
Average molar mass
172.27 g/mol
Monoisotopic mass
172.16879664

Names & identifiers

Preferred name
1,4-Piperazinediethylamine
IUPAC
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine
English name
Piperazine-1,4-diethylamine
Molecular formula
C8H20N4
Molecular weight
172.27

Names & synonyms

6531-38-01,4-PiperazinediethanaminePiperazine-1,4-diethylamine1,4-Piperazinediethylamine1,4-bis(2-aminoethyl)piperazineEINECS 229-428-8DTXSID6064400N,N'-BIS(2-AMINOETHYL)PIPERAZINE4H2W4524XV1,4-bis(2-aminoethyl)-1,4-diazacyclohexanePIPERAZINE, 1,4-BIS(2-AMINOETHYL)-RefChem:417031
Show more names
Gadobutrol Impurity 1771,4-Piperazinediethaneamine1,4-Piperazinediethanamine(9CI)N,N''-DI-(2-AMINOETHYL)PIPERAZINE2,2''-PIPERAZINE-1,4-DIYLDIETHANAMINE
DTXCID90445862,2'-(piperazine-1,4-diyl)diethanamine2-[4-(2-aminoethyl)piperazin-1-yl]ethanamineMFCD007200622-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylamine2,2'-(piperazine-1,4-diyl)bis(ethan-1-amine)SMR000009715UNII-4H2W4524XV

Database identifiers

CAS
6531-38-0
PubChem CID
81020
DTXSID
DTXSID6064400
ChEMBL
CHEMBL1542098
UNII
4H2W4524XV
EC Number
229-428-8
Nikkaji
J29.034C

Properties

Computed structural properties

XLogP
-1.8
Topological polar surface area
58.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Melting point
40 °C · 40 °C
Boiling point
130 °C · 130 °C(Press: 12 Torr)
Density
0.9675 g/cm3 · 0.9675 g/cm3(Temp: 25 °C)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
form
Solid
pka
10.41 · 10.41±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.

Not Classified

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: 1,4-Piperazinediethanamine

1,4-Piperazinediethanamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
ridadr
1760
Signal word
Danger
Symbol(GHS)
GHS05
hazard_class
8
packing_group
II

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,4-Piperazinediethanamine: ACTIVE
Applications · 1 item

Uses1,4-Piperazinediethylamine-d8 is the isotope labelled analog of 1,4-Piperazinediethylamine (P480090); a reagent in the synthesis of bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors. Also used as a reagent in the synthesis of novel bisnaphthalimides as new DNA topoisomerase II inhibitors.

Upstream & downstream products

Suppliers50 total

合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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