Adenine, monohydrochloride
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Adenine, monohydrochloride
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CAS No:
2922-28-3
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Formula:
C5H5N5.ClH
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Chemical Name:
Adenine, monohydrochloride
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Synonyms:
9H-Purin-6-amine,hydrochloride (1:1);Adenine,monohydrochloride;1H-Purin-6-amine,monohydrochloride;Adenine hydrochloride;Leucon
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CAS No:
Description
Adenine hydrochloride (6-Aminopurine hydrochloride) is a purine derivative with a variety of roles in biochemistry, including cellular respiration, in the form of both the energy-rich adenosine triphosphate (ATP) and the cofactors nicotinamide adenine dinucleotide (NAD) and flavin adenine dinucleotide (FAD), and protein synthesis, as a chemical component of DNA and RNA[1][2].
Adenine, monohydrochloride Basic Attributes
171.59
171.031174
4009585
220-867-0
364H11M7OD
2933990090
Characteristics
80.5
powder
~285 °C (dec.)
553.5°C at 760 mmHg
322.7ºC
H2O: 50 mg/mL
119.9 Ų [M-H]-
Safety Information
3
22-36/37/38
26-36-36/37/39-24/25
Xn,Xi
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.
Adenine, monohydrochloride Use and Manufacturing
To a solution of 250 mg (883 pmol) 6-bromo-8-methyl-2H-spiro[cyclobutane-1 3-imidazo[1, 5-a]pyridine]-1, 5-dione (prepared according to example 146a) and 167 mg (971pmol) To a solution of 100 mg (369 pmol) 6-bromo-3, 3, 8-trimethyl-2, 3-dihydroimidazo[1, 5- a]pyridine-1, 5-dione (prepared according to POT Int. AppI. (2015), WO 2015200481) and 69.6 mg (406 pmol) To a solution of 250 mg (720 pmol) 6-bromo-4, 4-difluoro-8-methyl-2H-spiro[cyclohexane-1, 3-imidazo[1, 5-a]pyridine]-1, 5-dione (prepared according to POT Int. AppI. (2015), WO2015200481) and 136mg (792 pmol) To a solution of 100 mg (337 pmol) 6-bromo-8-methyl-2H-spiro[cyclopentane-1 3- imidazo[1, 5-a]pyridine]-1, 5-dione (GAS-No: 1849592-55-7; POT Int. AppI. (2015), WO2015200481) and 64 mg (370 pmol) To a solution of 100 mg (321 pmol) 6-bromo-8-methyl-2H-spiro[cyclohexane-1 3- imidazo[1, 5-a]pyridine]-1, 5-dione (GAS-No: 1849592-70-6; POT Int. AppI. (2015), WO 2015200481) and 60.7 mg (353 pmol) The following steps were specifically included: Accurately weigh 0.1806 g (0.0005 mol) of Step A [4-(6-Amino-9H-purin-9-yl)-1-fluoro-1, 3-butadienyl] phosphonic acid, diethyl ester 13 mmol of cesium carbonate (4.24 g) are added in one portion to a stirred suspension of 3.5 mmol of (1, 1-difluoro-4-chloro-buten-2-yl) phosphonic acid, diethyl ester and 3.5 mmol of EXAMPLE 10 N6 -(1-tetralyl)
9H-Purin-6-amine, hydrochloride (1:?): INACTIVE|9H-Purin-6-amine, hydrochloride (1:1): ACTIVE
Computed Properties
Molecular Weight:171.59
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Exact Mass:171.0311729
Monoisotopic Mass:171.0311729
Topological Polar Surface Area:80.5
Heavy Atom Count:11
Complexity:127
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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