Product Name

  • Name

    1H-Benzimidazole-5-methanamine(9CI)

  • EINECS
  • CAS No. 164648-60-6
  • Article Data2
  • CAS DataBase
  • Density 1.279 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H9N3
  • Boiling Point 432.844 °C at 760 mmHg
  • Molecular Weight 147.18
  • Flash Point 245.506 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 164648-60-6 (1H-Benzimidazole-5-methanamine(9CI))
  • Hazard Symbols
  • Synonyms 1H-Benzimidazole-5-methanamine(9CI);(1H-Benzimidazol-5-yl)methanamine;5-Aminomethylbenzimidazole;
  • PSA 54.70000
  • LogP 1.72190

Synthetic route

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

(1H-benzo[d]imidazol-6-yl)methanol

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

1H-1,3-benzodiazol-6-ylmethanamine

Conditions
ConditionsYield
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%
5-(azidomethyl)benzimidazole
267875-43-4

5-(azidomethyl)benzimidazole

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

1H-1,3-benzodiazol-6-ylmethanamine

Conditions
ConditionsYield
With water; triphenylphosphine In tetrahydrofuran at 20℃;
5-benzimidazolecarboxylic acid
15788-16-6

5-benzimidazolecarboxylic acid

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

1H-1,3-benzodiazol-6-ylmethanamine

Conditions
ConditionsYield
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
1H-1,3-benzodiazol-6-ylmethanamine
164648-60-6

1H-1,3-benzodiazol-6-ylmethanamine

1,1'-carbonyldiimidazole
530-62-1

1,1'-carbonyldiimidazole

4-(4-Fluorophenoxy)piperidine hydrochloride

4-(4-Fluorophenoxy)piperidine hydrochloride

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

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

Conditions
ConditionsYield
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
1H-1,3-benzodiazol-6-ylmethanamine
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

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

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

Conditions
ConditionsYield
With 4-methyl-morpholine; ammonia; benzotriazol-1-ol In methanol; dichloromethane; N,N-dimethyl-formamide10%
1H-1,3-benzodiazol-6-ylmethanamine
164648-60-6

1H-1,3-benzodiazol-6-ylmethanamine

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

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

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

1H-1,3-benzodiazol-6-ylmethanamine

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid
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

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

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

1H-Benzimidazole-6-methanamine 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

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