Name: N'-Hydroxy-2-methylpropanimidamide
SKU: 35613-84-4

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Basic Information

Molecular Structure:
CAS No.:	35613-84-4
Name:	N'-Hydroxy-2-methylpropanimidamide
Article Data:	41

Formula:	C₄H₁₀N₂O
Molecular Weight:	102.136
Synonyms:	Isobutyramidoxime;Isopropylcarboxamide oxime;N-Hydroxy-2-methylpropanimidamide;N-Hydroxyisobutyramidine;N'-Hydroxyisobutyramidine;Isobutanamidoxime;Isobutyramide oxime;
Density:	1.09 g/cm³
Melting Point:	60 °C
Boiling Point:	207.2 °C at 760 mmHg
Flash Point:	79.1 °C
Hazard Symbols:	Xi
Risk Codes:	25
Safety:	45
PSA:	58.61000
LogP:	1.08910

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Specification

The N'-Hydroxy-2-methylpropanimidamide, with the CAS registry number 35613-84-4, is also known as N-Hydroxyisobutyramidine. It belongs to the product category of Pharmaceticals. This chemical's molecular formula is C₄H₁₀N₂O and molecular weight is 102.14. What's more, its IUPAC name is N'-hydroxy-2-methylpropanimidamide. It should be sealed and stored in a cool and dry place. It should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of N'-Hydroxy-2-methylpropanimidamide are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 2.58; (7)ACD/KOC (pH 7.4): 28.59; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 24.83 Å²; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 26.42 cm³; (14)Molar Volume: 93.4 cm³; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1.09 g/cm³; (17)Flash Point: 79.1 °C; (18)Enthalpy of Vaporization: 51.59 kJ/mol; (19)Boiling Point: 207.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0533 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(=NO)N
(2)Isomeric SMILES: CC(C)/C(=N/O)/N
(3)InChI: InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
(4)InChIKey: JHRDEHLFNLLCQS-UHFFFAOYSA-N