6-(N-(4-aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione

HCID 196441
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
66612-29-1
Standard SMILES
CCN(CCCCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIKey
LEOJISUPFSWNMA-UHFFFAOYSA-N
Molecular formula
C14H20N4O2
Average molar mass
276.33 g/mol
Monoisotopic mass
276.15862588

Overview

ABEI is a member of phthalazines.

Names & identifiers

Preferred name
6-(N-(4-aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione
IUPAC
6-[4-aminobutyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
English name
N-(4-Aminobutyl)-N-ethylisoluminol
Molecular formula
C14H20N4O2
Molecular weight
276.33

Names & synonyms

66612-29-1ABEIDTXSID602167816-(N-(4-Aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione1,4-Phthalazinedione, 6-((4-aminobutyl)ethylamino)-2,3-dihydro-1,4-Phthalazinedione, 6-[(4-aminobutyl)ethylamino]-2,3-dihydro-N-(aminobutyl)-N-(ethylisoluminol)RefChem:104102DTXCID90139272AminobutylethylisoluminolN-(4-Aminobutyl)-N-ethylisoluminol6-[(4-aminobutyl)(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
Show more names
ABEINN-(4-Aminobutyl)-N-eN-(4-AMINOBUTYL)-N-ETHYLISOLUMIOL(4-Aminobutyl)-N-Ethyl-IsoluminolABEI N-(4-AMINOBUTYL)-N-ETHYLISOLUMINOLN-(4-Aminobutyl)-N-ethylisoluminol ,97%
MFCD000105596-[4-aminobutyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione6-((4-Aminobutyl)(ethyl)amino)-2,3-dihydrophthalazine-1,4-dione6-[N-(4-Aminobutyl)-N-ethylamino]-2,3-dihydro-1,4-phthalazinedioneAKOS0051725826-[(4-aminobutyl)(ethylSCHEMBL437558orb2939682

Database identifiers

CAS
66612-29-1
PubChem CID
196441
DTXSID
DTXSID60216781
ChEBI
CHEBI:189286
EC Number
677-142-0
Nikkaji
J207.986K

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
87.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Physicochemical properties

Melting point
259 · 259-260 °C (lit.)
Density
1.206 · 1.206±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
50 mg/mL, · glacial acetic acid: 50mg/mL, clear, colorless to yellow
pka
10.83 · 10.83±0.20(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
8-10-23
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29339900
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesABEI is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Upstream & downstream products

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Additional notes

DefinitionChEBI: ABEI is a member of phthalazines.

Related reactions

2 records
New reaction record

Compound notes

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