CAS No.108-09-8,1,3-Dimethylbutylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108-09-8
Name:	1,3-Dimethylbutylamine
Article Data:	33

Formula:	C₆H₁₅N
Molecular Weight:	101.192
Synonyms:	Butylamine,1,3-dimethyl- (6CI,7CI,8CI);1,3-Dimethylbutanamine;2-Amino-4-methylpentane;4-Methyl-2-aminopentane;4-Methyl-2-pentanamine;DL-1,3-Dimethylbutylamine;NSC 48080;
EINECS:	203-549-6
Density:	0.767 g/cm³
Melting Point:	-40.7°C (estimate)
Boiling Point:	108.416 °C at 760 mmHg
Flash Point:	12.778 °C
Solubility:	Insoluble in water
Appearance:	Clear colourless liquid
Hazard Symbols:	F,C
Risk Codes:	11-22-34-20/21/22
Safety:	16-26-36/37/39-45
Transport Information:	UN 2379 3/PG 2
PSA:	26.02000
LogP:	2.08000

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Specification

The 1,3-Dimethylbutylamine, with the CAS registry number 108-09-8, is also known as 2-Amino-4-methylpentane. It belongs to the product categories of Amines; C2 to C6; Nitrogen Compounds. Its EINECS number is 203-549-6. This chemical's molecular formula is C₆H₁₅N and molecular weight is 101.19. What's more, its systematic name is 4-Methyl-2-pentanamine. Its classification code is Skin / Eye Irritant. This chemical should be sealed and stored in a cool and ventilated. Moreover, it should be protected from acids, acyl chloride, anhydride, carbon dioxide, strong oxidants, heat and fire. It is used in organic synthesis.

Physical properties of 1,3-Dimethylbutylamine are: (1)ACD/LogP: 1.763; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 33.299 cm³; (15)Molar Volume: 132.007 cm³; (16)Polarizability: 13.201×10^-24cm³; (17)Surface Tension: 24.83 dyne/cm; (18)Density: 0.767 g/cm³; (19)Flash Point: 12.778 °C; (20)Enthalpy of Vaporization: 34.72 kJ/mol; (21)Boiling Point: 108.416 °C at 760 mmHg; (22)Vapour Pressure: 25.94 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-pentan-2-one at the temperature of 20 °C. This reaction will need reagent ammonium formate and solvents methanol, H₂O. This reaction will also need catalyst 10% Pd-C. The yield is about 92%.

1,3-Dimethylbutylamine can be prepared by 4-methyl-pentan-2-one at the temperature of 20 °C

Uses of 1,3-Dimethylbutylamine: it can be used to produce N-(1,3-dimethyl-butyl)-guanidine at the ambient temperature. It will need solvent methanol with the reaction time of 4 hours. The yield is about 80%.

1,3-Dimethylbutylamine can be used to produce N-(1,3-dimethyl-butyl)-guanidine at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. This substance can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)CC(C)C
(2)Std. InChI: InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3
(3)Std. InChIKey: UNBMPKNTYKDYCG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LCLo	inhalation	1278ppm/15M (1278ppm)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
mouse	LD50	intravenous	80mg/kg (80mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03558,
mouse	LD50	oral	470mg/kg (470mg/kg)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
rabbit	LD50	skin	600mg/kg (600mg/kg)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
rat	LDLo	oral	600mg/kg (600mg/kg)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.