1H-Pyrrole-2,4-dicarboxylicacid, 5-[[2-(aminocarbonyl)hydrazinylidene]methyl]-3-methyl-, 2,4-diethyl 5427-17-8 CAS NO.5427-17-8

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

1H-Pyrrole-2,4-dicarboxylicacid, 5-[[2-(aminocarbonyl)hydrazinylidene]methyl]-3-methyl-, 2,4-diethyl
5427-17-8
98%

Quick Details

ProName: 1H-Pyrrole-2,4-dicarboxylicacid, 5-[[2...
CasNo: 5427-17-8
Molecular Formula: C13H18 N4 O5
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【name】
1h-pyrrole-2,4-dicarboxylicacid, 5-[[2-(aminocarbonyl)hydrazinylidene]methyl]-3-methyl-, 2,4-diethyl ester
【iupac name】
diethyl
(5z)-5-[(2-carbamoylhydrazinyl)methylidene]-3-methylpyrrole-2,
4-dicarboxylate
【cas registry number】
5427-17-8
【synonyms】
1h-pyrrole-2,4-dicarboxylicacid, 5-[[(aminocarbonyl)hydrazono]methyl]-3-methyl-, diethyl ester (9ci)
pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, diethyl ester,5-semicarbazone (8ci)
nsc 14484
【molecular formula】
c13h18 n4 o5 (products with the same molecular formula)
【molecular weight】
310.3058
【inchi】
inchi=1/c13h18n4o5/c1-4-21-11(18)9-7(3)10(12(19)22-5-2)16-8(9)6-15-17-13(14)20/h6,15h,4-5h2,1-3h3,(h3,14,17,20)/b8-6-
【canonical smiles】
ccoc(=o)c1=c(c(=nc1=cnnc(=o)n)c(=o)occ)c
【isomers smiles】
ccoc(=o)c\1=c(c(=n/c1=c\nnc(=o)n)c(=o)occ)c
chemical and physical properties
【density】
1.36g/cm3
【boiling point】
°cat760mmhg
【refractive index】
1.583
【flash point】
°c
【computed properties】
molecular weight:310.30582 [g/mol]
molecular formula:c13h18n4o5
xlogp3-aa:0.1
h-bond donor:3
h-bond acceptor:7
rotatable bond count:8
tautomer count:65
exact mass:310.12772
monoisotopic mass:310.12772
topological polar surface area:132
heavy atom count:22
formal charge:0
complexity:577
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:1
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:4
feature 3d donor count:3
feature 3d ring count:1
effective rotor count:9
conformer sampling rmsd:0.8
cid conformer count:81