Benzenemethanamine,2-amino-N-cyclohexyl-N-methyl- supplier

Name
2-AMINO-N-CYCLOHEXYL-N-METHYLBENZENE METHAMINE HCL
EINECS 260-701-4
CAS No. 57365-08-9
Article Data2
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point 44-47 °C(lit.)
Formula C₁₄H₂₂N₂
Boiling Point 343.8 °C at 760 mmHg
Molecular Weight 218.342
Flash Point 147.4 °C
Transport Information
Appearance yellowish to creamy crystalline powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-(2-Aminobenzyl)-N-methylcyclohexanamine;2-[(Cyclohexylmethylamino)methyl]phenylamine;Toluene-a,2-diamine, Na-cyclohexyl-Na-methyl- (7CI);
PSA 29.26000
LogP 3.61450

Synthetic route

: 100-60-7
N-methylcyclohexylamine

: 114059-99-3
ortho-(chloromethyl)-aniline

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

Conditions

Conditions	Yield
In ethanol at 20℃; for 1.5h; Time; Solvent; Reflux;	85%

: 672-13-9
2-hydroxy-5-methoxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C22H28N2O2

Conditions

Conditions	Yield
In toluene Dean-Stark; Reflux;	96%
In toluene Reflux;

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 1761-61-1
5-bromosalicyclaldehyde

: C21H25BrN2O

Conditions

Conditions	Yield
In toluene Dean-Stark; Reflux;	96%

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 635-93-8
5-chlorosalicyclaldehyde

: C21H25ClN2O

Conditions

Conditions	Yield
In toluene Dean-Stark; Reflux;	95%

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 90-02-8
salicylaldehyde

: C21H26N2O

Conditions

Conditions	Yield
In toluene for 24h; Dean-Stark; Reflux;	95%
In toluene Reflux;

: 673-22-3
2-Hydroxy-4-methoxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C22H28N2O2

Conditions

Conditions	Yield
In toluene Dean-Stark; Reflux;	95%
In toluene Reflux;

: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C29H42N2O

Conditions

Conditions	Yield
In toluene for 48h; Reflux; Dean-Stark;	95%

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: C22H28N2O2

Conditions

Conditions	Yield
In toluene for 24h; Reflux; Dean-Stark;	95%

: 17754-90-4
4-(Diethylamino)salicylaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C25H35N3O

Conditions

Conditions	Yield
In toluene for 168h; Dean-Stark; Reflux;	92%

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: [4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-carbamic acid 4-nitro-phenyl ester; hydrochloride

: 1-{2-[(cyclohexyl-methyl-amino)-methyl]-phenyl}-3-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-urea

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide

: 672-13-9
2-hydroxy-5-methoxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C44H54N4Na2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / Dean-Stark; Reflux 2: tetrahydrofuran / -95 - 20 °C View Scheme

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 635-93-8
5-chlorosalicyclaldehyde

: C42H48Cl2N4Na2O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / Dean-Stark; Reflux 2: tetrahydrofuran / -95 - 20 °C View Scheme

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 90-02-8
salicylaldehyde

: C42H50N4Na2O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / 24 h / Dean-Stark; Reflux 2: tetrahydrofuran / 15 h / -95 - 20 °C View Scheme

: 17754-90-4
4-(Diethylamino)salicylaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C50H68N6Na2O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / 168 h / Dean-Stark; Reflux 2: tetrahydrofuran / -95 - 20 °C View Scheme

: 673-22-3
2-Hydroxy-4-methoxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C44H54N4Na2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / Dean-Stark; Reflux 2: tetrahydrofuran / -95 - 20 °C View Scheme

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 90-02-8
salicylaldehyde

: C23H30N2OZn

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / Reflux 2: toluene / 12 h / 0 °C / Inert atmosphere View Scheme

: 673-22-3
2-Hydroxy-4-methoxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C24H32N2O2Zn

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / Reflux 2: toluene / 12 h / 0 °C / Inert atmosphere View Scheme

: 672-13-9
2-hydroxy-5-methoxybenzaldehyde

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: C24H32N2O2Zn

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / Reflux 2: toluene / 12 h / 0 °C / Inert atmosphere View Scheme

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: C24H32N2O2Zn

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / 24 h / Reflux; Dean-Stark 2: toluene / 12 h / 0 °C / Inert atmosphere View Scheme

: 57365-08-9
N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine

: 8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

: N-(2-[[cyclohexyl(methyl)amino]methyl]phenyl)-8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 7h;	15 mg

Benzenemethanamine,2-amino-N-cyclohexyl-N-methyl- Specification

The Benzenemethanamine,2-amino-N-cyclohexyl-N-methyl-, with CAS registry number 57365-08-9, belongs to the following product categories: (1)Nitrogen Compounds; (2)Organic Building Blocks; (3)Polyamines. It has the systematic name of 2-{[cyclohexyl(methyl)amino]methyl}aniline. And the chemical formula of this chemical is C₁₄H₂₂N₂. What's more, its EINECS is 260-701-4.

Physical properties of Benzenemethanamine,2-amino-N-cyclohexyl-N-methyl-: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.22; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 22.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 69.22 cm³; (15)Molar Volume: 213.1 cm³; (16)Polarizability: 27.44×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.02 g/cm³; (19)Flash Point: 147.4 °C; (20)Enthalpy of Vaporization: 58.76 kJ/mol; (21)Boiling Point: 343.8 °C at 760 mmHg; (22)Vapour Pressure: 6.89E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(Cc1ccccc1N)(C)C2CCCCC2
(2)InChI: InChI=1/C14H22N2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h5-7,10,13H,2-4,8-9,11,15H2,1H3
(3)InChIKey: MTVBBLNLYSYKCQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H22N2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h5-7,10,13H,2-4,8-9,11,15H2,1H3
(5)Std. InChIKey: MTVBBLNLYSYKCQ-UHFFFAOYSA-N

Product Name

2-AMINO-N-CYCLOHEXYL-N-METHYLBENZENE METHAMINE HCL

Synthetic route

Benzenemethanamine,2-amino-N-cyclohexyl-N-methyl- Specification

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