CAS No.543-82-8,2-AMINO-6-METHYLHEPTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	543-82-8
Name:	2-AMINO-6-METHYLHEPTANE
Article Data:	5
Cas Database

Formula:	C₈H₁₉N
Molecular Weight:	129.246
Synonyms:	Hexylamine,1,5-dimethyl- (6CI,7CI,8CI);2-Amino-6-methylheptane;2-Isooctylamine;2-Methyl-6-aminoheptane;6-Amino-2-methylheptane;6-Methyl-2-heptanamine;6-Methyl-2-heptylamine;Amidrine;Isoctaminum;Octodrin;Octodrine;SKF 51;Vaporpac;a,e-Dimethylhexylamine;
EINECS:	208-851-1
Density:	0.783 g/cm³
Melting Point:	25°C
Boiling Point:	154.999 °C at 760 mmHg
Flash Point:	48.889 °C
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	10-22-36/37/38
Safety:	26-36/37/39-16
Transport Information:	UN 1993 3/PG 3
PSA:	26.02000
LogP:	2.86020

Synthetic route

: 540-69-2
ammonium formate

: 928-68-7
6-methylheptan-2-one

: 543-82-8
1,5-dimethylhexylamine

Conditions

Conditions	Yield
at 180 - 185℃; Kochen des Reaktionsprodukts mit konz.HCl;

: 928-68-7
6-methylheptan-2-one

: 543-82-8
1,5-dimethylhexylamine

Conditions

Conditions	Yield
With ethanol; ammonia; nickel Hydrogenation.unter Druck;

: 928-68-7
6-methylheptan-2-one

A: 543-82-8
1,5-dimethylhexylamine

B: 101440-18-0
bis-(1,5-dimethyl-hexyl)-amine

Conditions

Conditions	Yield
With hydrazine hydrate anschliessend mit Methanol, wss. Ammoniak und aktiviertem Aluminium;

2-methyl-heptanone-(6)-oxime: 2-methyl-heptanone-(6)-oxime

: 543-82-8
1,5-dimethylhexylamine

Conditions

Conditions	Yield
With nickel Hydrogenation;
With ethanol; sodium

: 70419-11-3
(R)-6-methylheptan-2-amine

: 543-82-8
1,5-dimethylhexylamine

Conditions

Conditions	Yield
With 2,2,2-trifluoroethanethiol In tetrahydrofuran; 3-methylpentan-3-ol at 22 - 24℃; for 2h; Photolysis;

: 110-93-0
6-Methyl-hept-5-en-2-on

A: 543-82-8
1,5-dimethylhexylamine

B: 4630-06-2, 1569-60-4
6-methylhept-5-en-2-ol

C: 22462-79-9
6-methylhept-5-en-2-amine

Conditions

Conditions	Yield
With ammonia; hydrogen In tert-butyl alcohol at 120℃; for 24h; Autoclave; High pressure;	A 5 %Chromat. B 73 %Chromat. C 15 %Chromat.

...Expand

: 543-82-8
1,5-dimethylhexylamine

: 4314-19-6
bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione

: 690634-05-0
benzotriazole-1-carbothioic acid (1,5-dimethylhexyl)amide

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 18h;	99%
In dichloromethane at 20℃; for 18h;	87%

: 543-82-8
1,5-dimethylhexylamine

: 13139-15-6
N-tert-butoxycarbonyl-L-leucine

: 13532-69-9
L-Leucin-(+)-1,5-dimethylhexylamid

Conditions

Conditions	Yield
Stage #1: N-tert-butoxycarbonyl-L-leucine With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -15℃; for 0.333333h; Stage #2: 1,5-dimethylhexylamine In tetrahydrofuran at -15 - 20℃; for 8h; Stage #3: With trifluoroacetic acid In dichloromethane for 5h;	98%

: 543-82-8
1,5-dimethylhexylamine

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: C17H28N2O

Conditions

Conditions	Yield
Stage #1: N-tert-butoxycarbonyl-L-phenylalanine With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -15℃; for 0.333333h; Stage #2: 1,5-dimethylhexylamine In tetrahydrofuran at -15 - 20℃; for 8h; Stage #3: With trifluoroacetic acid In dichloromethane for 5h;	97%

: 543-82-8
1,5-dimethylhexylamine

: 54571-67-4
pyroglutamic acid sodium salt

: 1311195-36-4
C13H25N2O3(1-)*Na(1+)

Conditions

Conditions	Yield
at 140℃; for 5h;	94%

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,5-Dimethylhexylamine, with the CAS registry number 543-82-8, is also known as Octodrine. Its EINECS number is 208-851-1. This chemical's molecular formula is C₈H₁₉N and molecular weight is 129.24. What's more, its systematic name is 6-Methyl-2-heptanamine. Its classification codes are: (1)Adrenergic [vasoconstrictor]; (2)Anesthetic [local]; (3)Drug / Therapeutic Agent; (4)Inhibitor [HMG-CoA reductase]. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from heat and fire. This chemcial can be prepared by the amination and catalytic hydrogenation of 6-Methyl-2-heptanone. The product can be used as a local anesthetic, vasoconstrictore, but it mainly as an intermediates of octamylamine.

Physical properties of 1,5-Dimethylhexylamine are: (1)ACD/LogP: 2.782; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): -0.21; (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: 5; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 42.564 cm³; (15)Molar Volume: 165.02 cm³; (16)Polarizability: 16.874×10^-24cm³; (17)Surface Tension: 26.45 dyne/cm; (18)Density: 0.783 g/cm³; (19)Flash Point: 48.889 °C; (20)Enthalpy of Vaporization: 39.175 kJ/mol; (21)Boiling Point: 154.999 °C at 760 mmHg; (22)Vapour Pressure: 3.09 mmHg at 25°C.

Uses of 1,5-Dimethylhexylamine: it can be used to produce N-[4-(1,5-dimethyl-hexylsulfamoyl)-phenyl]-acetamide at the temperature of 20 °C. It will need reagent Et₃N and solvent dimethylformamide with the reaction time of 6 hours. The yield is about 76%.

1,5-Dimethylhexylamine can be used to produce N-[4-(1,5-dimethyl-hexylsulfamoyl)-phenyl]-acetamide at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)CCCC(C)C
(2)Std. InChI: InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
(3)Std. InChIKey: QNIVIMYXGGFTAK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	subcutaneous	100mg/kg (100mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 80, Pg. 1153, 1960.
rat	LD50	intramuscular	146mg/kg (146mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 27, Pg. 354, 1951.
rat	LD50	oral	538mg/kg (538mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 27, Pg. 354, 1951.