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N1-Methyladenine

N1-Methyladenine structure

N1-Methyladenine 

structure
  • CAS No:

    5142-22-3

  • Formula:

    C6H7N5

  • Chemical Name:

    N1-Methyladenine

  • 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

  • Categories:

    Biochemical Engineering  >  Nucleoside Drugs

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.

Drug Information

1-methyladenine

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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