CAS No.164648-60-6,1H-Benzimidazole-5-methanamine(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	164648-60-6
Name:	1H-Benzimidazole-5-methanamine(9CI)
Article Data:	2

Formula:	C₈H₉N₃
Molecular Weight:	147.18
Synonyms:	1H-Benzimidazole-5-methanamine(9CI);(1H-Benzimidazol-5-yl)methanamine;5-Aminomethylbenzimidazole;
Density:	1.279 g/cm³
Boiling Point:	432.844 °C at 760 mmHg
Flash Point:	245.506 °C
PSA:	54.70000
LogP:	1.72190

Synthetic route

: 106429-29-2
(1H-benzo[d]imidazol-6-yl)methanol

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

Conditions

Conditions	Yield
Stage #1: (1H-benzo[d]imidazol-6-yl)methanol With diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 4h; Stage #2: With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 96h;	67%

: 267875-43-4
5-(azidomethyl)benzimidazole

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

Conditions

Conditions	Yield
With water; triphenylphosphine In tetrahydrofuran at 20℃;

: 15788-16-6
5-benzimidazolecarboxylic acid

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: lithium aluminium tetrahydride / tetrahydrofuran / 96 h / 0 - 20 °C 2.1: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 4 h / 20 °C 2.2: 96 h / 20 °C View Scheme

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

: 530-62-1
1,1'-carbonyldiimidazole

: 4-(4-Fluorophenoxy)piperidine hydrochloride

: 1392002-34-4
N-(1H-1,3-benzodiazol-6-ylmethyl)-4-(4-fluorophenoxy)piperidine-1-carboxamide

Conditions

Conditions	Yield
Stage #1: 1H-1,3-benzodiazol-6-ylmethanamine; 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide for 1h; Stage #2: 4-(4-Fluorophenoxy)piperidine hydrochloride With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 16h;	49%

...Expand

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

: 2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]acetic acid

: N-(1H-Benzimidazol-6-ylmethyl)-2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]acetamide

Conditions

Conditions	Yield
With 4-methyl-morpholine; ammonia; benzotriazol-1-ol In methanol; dichloromethane; N,N-dimethyl-formamide	10%

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

: 259538-84-6
2-[3-({[(2 R)-1-Cyclopentylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2 H)-pyrazinyl]acetic acid hydrochloride

: N-(1H-Benzimidazol-6-ylmethyl)-2-[3-({[(2R)-1-cyclopentylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]acetamide

: 164648-60-6
1H-1,3-benzodiazol-6-ylmethanamine

: 1216142-18-5
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid

: N-((1H-benzo[d]imidazol-6-yl)methyl)-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 70℃; for 2h; Inert atmosphere;

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Specification

The 1H-Benzimidazole-6-methanamine is an organic compound with the formula C₈H₉N₃. The systematic name of this chemical is 1-(1H-Benzimidazol-6-yl)methanamine. With the CAS registry number 164648-60-6, it is also named as 1H-Benzimidazol-5-ylmethylamine. The product's category is Benzimidazole. Besides, its molecular weight is 147.1772.

Physical properties about 1H-Benzimidazole-6-methanamine are: (1)ACD/LogP: 0.66; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 54.7 Å²; (10)Index of Refraction: 1.712; (11)Molar Refractivity: 45.072 cm³; (12)Molar Volume: 115.083 cm³; (13)Polarizability: 17.868×10^-24 cm³; (14)Surface Tension: 68.188 dyne/cm; (15)Density: 1.279 g/cm³; (16)Flash Point: 245.506 °C; (17)Enthalpy of Vaporization: 68.87 kJ/mol; (18)Boiling Point: 432.844 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H9N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)
(2)InChIKey: WHYXSYWCALWOKX-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C8H9N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)
(4)Std. InChIKey: WHYXSYWCALWOKX-UHFFFAOYSA-N