6-ethoxy-9H-purin-2-amine

HCID 95805

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Basic information

CAS: 51866-19-4
Standard SMILES: CCOc1nc(N)nc2nc[nH]c12
InChIKey: SFXXRVSPZSOREJ-UHFFFAOYSA-N
Molecular formula: C7H9N5O
Average molar mass: 179.18 g/mol
Monoisotopic mass: 179.08070991

Overview

found in rat brain DNA

Names & identifiers

Preferred name: 6-ethoxy-9H-purin-2-amine
IUPAC: 6-ethoxy-7H-purin-2-amine
English name: 6-ethylguanine
Molecular formula: C7H9N5O
Molecular weight: 179.18

Names & synonyms

6-Ethylguanine51866-19-46-ethoxy-9H-purin-2-amine6-O-Ethylguanine1H-Purin-2-amine, 6-ethoxy-45T1754HHHNSC-37368DTXSID20199829O(6)-ethylguanineRefChem:913925DTXCID301223206-ethoxy-7H-purin-2-amine

Show more names

ETHYLGUANINE9H-Purin-2-amine, 6-ethoxy-（WS204336）

2-amino-6-ethoxypurineo6-ethylguanine6-Ethyl GuanineMFCD204820339H-Purin-2-amine, 6-ethoxy-Purine, 2-amino-6-ethoxy-CHEMBL406419O-6-Ethylguanine

Database identifiers

CAS: 51866-19-4
PubChem CID: 95805
DTXSID: DTXSID20199829
ChEMBL: CHEMBL406419
UNII: 45T1754HHH
Nikkaji: J458.797I

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 89.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 178

Physicochemical properties

FDA UNII: 45 T1754HHH · 45T1754HHH
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses6-Ethyl Guanine is a alkylated mutagen of Guanine (G836000), usually indicative of carcinoma if detected. Guanine is on one of the five nucleobases incorporated into biological nucleic acids.