Name: ISOAMYLAMINE
SKU: 107-85-7

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Basic Information

Molecular Structure:
CAS No.:	107-85-7
Name:	ISOAMYLAMINE
Article Data:	91

Formula:	C₅H₁₃N
Molecular Weight:	87.1649
Synonyms:	Monoisoamylamine;Monoisopentylamine;NSC 7907;g-Isoamylamine;2-(2-Isopropyl)ethylamine;3-Methyl-1-butanamine;Isopentylamine(6CI,8CI);Propylamine, 3,3-dimethyl- (7CI);1-Amino-3-methylbutane;3-Methyl-n-butylamine;Isovalerylamine;Leucamine;3-Methylbutanamine;3-Methylbutylamine;Isoamylamine;
EINECS:	203-526-0
Density:	0.757 g/cm³
Melting Point:	-60 °C
Boiling Point:	92.7 °C at 760 mmHg
Flash Point:	18.3 °C
Solubility:	Clear liquid
Hazard Symbols:	FC
Risk Codes:	11-22-34
Safety:	16-26-36/37/39-45
Transport Information:	UN 1106
PSA:	26.02000
LogP:	1.69150

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Specification

This chemical is called 1-Butanamine, 3-methyl-, and its IUPAC name is 3-Methylbutan-1-amine. With the molecular formula of C₅H₁₃N, its molecular weight is 87.16. The CAS registry number of this chemical is 107-85-7. In addition, this chemical should be sealed in the cool and ventilated place, away from heat, fire, oxidant and acid.

Other characteristics of 1-Butanamine, 3-methyl- can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 28.7 cm³; (15)Molar Volume: 115.1 cm³; (16)Polarizability: 11.38×10^-24cm³; (17)Surface Tension: 25 dyne/cm; (18)Density: 0.757 g/cm³; (19)Flash Point: 18.3 °C; (20)Enthalpy of Vaporization: 33.25 kJ/mol; (21)Boiling Point: 92.7 °C at 760 mmHg; (22)Vapour Pressure: 51.1 mmHg at 25°C.

Uses of this chemical: The 1-Butanamine, 3-methyl- could react with 4-Pyrazol-1-yl-butan-2-one to obtain the (3-Methyl-butyl)-(1-methyl-3-pyrazol-1-yl-propyl)-amine. This reaction needs the reagent of 5N HCl, NaBH₃CN, and the solvent of Methanol. The yield is 60 %. In addition, this reaction should be taken for 3 days at ambient temperature.

The 1-Butanamine, 3-methyl- could react with 4-Pyrazol-1-yl-butan-2-one to obtain the (3-Methyl-butyl)-(1-methyl-3-pyrazol-1-yl-propyl)-amine

When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable and harmful if swallowed and it Causes burns. Keep away from sources of ignition. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
1.SMILES: NCCC(C)C
2.InChI: InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
3.InChIKey: BMFVGAAISNGQNM-UHFFFAOYAE
4.Std. InChI: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
5.Std. InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N