CAS No.133081-27-3,SHNH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133081-27-3
Name:	SHNH
Article Data:	1

Formula:	C₁₀H₁₀N₄O₄.ClH
Molecular Weight:	286.675
Synonyms:	2,5-Pyrrolidinedione,1-[[(6-hydrazino-3-pyridinyl)carbonyl]oxy]-,monohydrochloride (9CI);Succinimidyl hydrazinium nicotinate hydrochloride;1-{[(6-hydrazinylpyridin-3-yl)carbonyl]oxy}pyrrolidine-2,5-dione hydrochloride (1:1);6-Hydrazinyl-3-pyridinecarboxylicacid 2,5-dioxo-1-pyrrolidinyl ester hydrochloride;
Boiling Point:	491.3 °C at 760 mmHg
Flash Point:	250.9 °C
PSA:	114.62000
LogP:	1.10120

Synthetic route

: 5326-23-8
6-Chloro-3-pyridinecarboxylic acid

: 133081-27-3
succinimidyl 6-hydrazinopyridine-3-carboxylate hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrazine hydrate / 4 h / 100 °C 2: triethylamine / N,N-dimethyl-formamide / 16 h / 20 °C 3: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 20 °C 4: hydrogenchloride / 1,4-dioxane / 4 h / 20 °C / Inert atmosphere; Sealed tube View Scheme

: 133081-24-0
6-hydrazinylnicotinic acid

: 133081-27-3
succinimidyl 6-hydrazinopyridine-3-carboxylate hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: triethylamine / N,N-dimethyl-formamide / 16 h / 20 °C 2: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 20 °C 3: hydrogenchloride / 1,4-dioxane / 4 h / 20 °C / Inert atmosphere; Sealed tube View Scheme

: 133081-25-1
6-({[(tert-butoxy)carbonyl]amino}amino)pyridine-3-carboxylic acid

: 133081-27-3
succinimidyl 6-hydrazinopyridine-3-carboxylate hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 20 °C 2: hydrogenchloride / 1,4-dioxane / 4 h / 20 °C / Inert atmosphere; Sealed tube View Scheme

: 133081-26-2
2-(N'-tert-butoxycarbonylhydrazino)pyridine-5-carboxylic acid 2,5-dioxopyrrolidin-1-yl ester

: 133081-27-3
succinimidyl 6-hydrazinopyridine-3-carboxylate hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane at 20℃; for 4h; Inert atmosphere; Sealed tube;	42 mg

: 133081-27-3
succinimidyl 6-hydrazinopyridine-3-carboxylate hydrochloride

: 819066-98-3
N,N'-(5-(4-aminobutoxy)-1,3-phenylene)bis(methylene)bis(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine)

: 1313597-09-9
C42H46N10O2

Conditions

Conditions	Yield
With N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid In N,N-dimethyl-formamide; acetonitrile at 20℃; for 1.5h; Darkness;	10.3%

: 133081-27-3
succinimidyl 6-hydrazinopyridine-3-carboxylate hydrochloride

: C38H61Cl2N13O8S2

: C44H66Cl2N16O9S2

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 12h;

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Specification

The CAS registry number of 3-Pyridinecarboxylicacid, 6-hydrazinyl-, 2,5-dioxo-1-pyrrolidinyl ester, hydrochloride (1:1) is 133081-27-3. The IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-hydrazinylpyridine-3-carboxylate hydrochloride. In addition, the molecular formula is C₁₀H₁₀N₄O₄.ClH and the molecular weight is 286.67. It is a kind of colourless to slightly grey solid and should be stored in a cool and dry place.

Physical properties about 3-Pyridinecarboxylicacid, 6-hydrazinyl-, 2,5-dioxo-1-pyrrolidinyl ester, hydrochloride (1:1) are: (1)ACD/LogP: -2.08; (2)ACD/LogD (pH 5.5): -2.1; (3)ACD/LogD (pH 7.4): -2.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.68; (7)ACD/KOC (pH 7.4): 1.76; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 83.05 Å²; (12)Flash Point: 250.9 °C; (13)Enthalpy of Vaporization: 75.8 kJ/mol; (14)Boiling Point: 491.3 °C at 760 mmHg; (15)Vapour Pressure: 8.49E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(OC(=O)c1ccc(nc1)NN)C(=O)CC2.Cl
(2)InChI: InChI=1/C10H10N4O4.ClH/c11-13-7-2-1-6(5-12-7)10(17)18-14-8(15)3-4-9(14)16;/h1-2,5H,3-4,11H2,(H,12,13);1H
(3)InChIKey: KVYDWWCHNVBFJG-UHFFFAOYAR