CAS No.3742-63-0,Acetic acid isopropylidene-hydrazide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3742-63-0
Name:	Acetic acid isopropylidene-hydrazide
Article Data:	13

Formula:	C₅H₁₀N₂O
Molecular Weight:	114.1457
Synonyms:	Aceticacid, (1-methylethylidene)hydrazide (9CI);Acetic acid, isopropylidenehydrazide(6CI,7CI,8CI);Hydrazine, 1-acetyl-2-isopropylidene- (5CI);Acetoneacetylhydrazone;Acetyl (isopropylidene)hydrazide;NSC 220269;NSC 51932;
Density:	0.97 g/cm³
Melting Point:	139.5-140 °C
Boiling Point:	135-140 °C(Press: 7 Torr)
PSA:	41.46000
LogP:	0.90920

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Specification

The Acetic acid,2-(1-methylethylidene)hydrazide is an organic compound with the formula C₅H₁₀N₂O. The IUPAC name of this chemical is N-(propan-2-ylideneamino)acetamide. With the CAS registry number 3742-63-0, it is also named as N-(2-methyl-1-azaprop-1-enyl)acetamide.

Physical properties about Acetic acid,2-(1-methylethylidene)hydrazide are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.35; (7)ACD/KOC (pH 7.4): 12.36; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.67 Å²; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 31.98 cm³; (14)Molar Volume: 116.7 cm³; (15)Polarizability: 12.68×10^-24cm³; (16)Surface Tension: 28.6 dyne/cm; (17)Density: 0.97 g/cm³.

Preparation: this chemical can be prepared by acetic acid hydrazide and propan-2-one. This reaction will need reagent solvent ethanol by heating.

Uses of Acetic acid,2-(1-methylethylidene)hydrazide: it can be used to produce acetic acid-(N'-isopropyl-hydrazide) at temperature of 50 °C. It will need reagent Et₃SiH and solvent trifluoroacetic acid with reaction time of 4 hours. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N/N=C(\C)C)C
(2)InChI: InChI=1/C5H10N2O/c1-4(2)6-7-5(3)8/h1-3H3,(H,7,8)
(3)InChIKey: XLHDGJPPMZUJIM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H10N2O/c1-4(2)6-7-5(3)8/h1-3H3,(H,7,8)
(5)Std. InChIKey: XLHDGJPPMZUJIM-UHFFFAOYSA-N