N1-Methyladenine
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N1-Methyladenine
structure -
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CAS No:
5142-22-3
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Formula:
C6H7N5
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Chemical Name:
N1-Methyladenine
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Synonyms:
1H-Purin-6-amine,1-methyl-;Adenine,1-methyl-;1-Methyl-1H-purin-6-amine;1-Methyladenine;N1-Methyladenine;1-Methyl-6-aminopurine;6-Amino-1-methylpurine;NSC 70896;1-Methylpurin-6-amine
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CAS No:
Description
1-Methyladenine is a product of alkylation damage in DNA which can be repaired by damage reversal by oxidative demethylation.
1-methyladenine is adenine substituted with a methyl group at position N-1. It has a role as a metabolite.
N1-Methyladenine Basic Attributes
149.15
149.15
225-907-0
98K2TG3E3W
70896
DTXSID20199405
2933990090
Characteristics
69.6
0.52670
Pale yellow or beige Crystalline Powder
1.6 g/cm3
>300 °C
240.1ºC at 760 mmHg
99ºC
1.807
-20°C
1.60e-12 mmHg
128.35 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|130.97 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|130.5 Ų [M-H]-
Safety Information
22
24/25
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:149.15
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:149.07014524
Monoisotopic Mass:149.07014524
Topological Polar Surface Area:68.1
Heavy Atom Count:11
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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