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Home> Encyclopedia > Hot Product Listed 6   > 6-Methoxyguanine
20535-83-5 structure

6-Methoxyguanine

Iupac Name:6-methoxy-7H-purin-2-amine
CAS No.:20535-83-5
EINECS(EC#): 606-576-5
Molecular Weight:165.156
Molecular Formula:C6H7N5O (isomer)
Names and Identifiers
Synonyms

1h-purin-2-amine, 6-methoxy- 2-amino-6-methoxy-9h-purine 2-amino-6-methoxypurine 4CH-023698 535a835 6go 6-methoxy-1h-purine-2-amine 6-methoxy-5H-purin-2-amine 6-methoxy-7h-purin-2-amine 6-methoxy-7h-purin-2-amine # 6-methoxy-9h-purin-2-amine 6-methoxy-purin-2-amine 6-methoxypurine-2-ylamine 6-o-methylguanine 6-o-methylguanine (2-amino-6-methoxypurine), pharmaceutical secondary standard 6-o-methylguanine, 97% 9b710fv2ae A814660 AC1L22YD ACMC-209FBS AJ-52211 AK-27073 AKOS005257755 AKOS015914255 AKOS022636960 AKOS028112957 ANW-24134 bdbm5470 BXJHWYVXLGLDMZ-UHFFFAOYSA-N cas-20535-83-5 CCG-35441 certified reference material CHEBI:20689 chembl226395 CTK8B1153 DB-045270 dsstox_cid_29365 dsstox_rid_83480 DTXSID9049405 FT-0638008 HE012358 HE211476 HE227686 HMS2231D13 HMS3370E06 KS-000011U3 LS-126395 LS20599 MB00722 MCULE-4539018382 mfcd00133009 MLS001074870 MOLPORT-001-767-775 MOLPORT-003-984-177 NA090018 NCGC00247006-01 NCGC00260512-01 NCI60_003482 NCIMECH_000186 nsc 37364 nsc37364 nsc-37364 o-(6)-methylguanine o(6)-methylguanine o(sup 6)-methylguanine o-6-methylguanine o6-methylguanine o6-substituted guanine deriv. 1 o-methylguanine or3726 P393 PUBCHEM9244 purine, 2-amino-6-methoxy- purine, 2-amino-6-methoxy- (8ci) SBB052058 SC-46314 SCHEMBL231097 smr000568400 ST24039960 ST50298900 TC-112879 tox21_202966 TRA0064066 TS-00127 unii-9b710fv2ae W-201791 ZINC4770610 zx-at011932

Inchi
InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChkey
BXJHWYVXLGLDMZ-UHFFFAOYSA-N
Canonical Smiles
COC1=NC(=NC2=C1NC=N2)N
Properties
Appearance
white to off-white crystalline powder
Density
1.531
Melting Point
> 300C (Decomposes)
Vapour
0.00232mmHg at 25°C
Refractive Index
1.814
Flash Point
315.8 °C
Solubility
Insoluble Appearance:white to off-white crystalline powder
Hazard Symbols:Not regulated UN NO.
HS Code
2933990090
Safety and Handling
Hazard Codes
Xi
Safety

Hazard Codes: IrritantXi
WGK Germany: 3
RTECS: UO7473000
Hazard Note: Irritant

Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7473000
CHEMICAL NAME :
1H-Purin-2-amine, 6-methoxy-
CAS REGISTRY NUMBER :
20535-83-5
LAST UPDATED :
199410
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H7-N5-O
MOLECULAR WEIGHT :
165.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
40 mg/kg
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 49,3520,1989
Specification

 O-(6)-Methylguanine , its cas register number is 20535-83-5. It also can be called 2-Amino-6-methoxypurine ; 6-Methoxy-1H-purine-2-amine ; 6-Methoxyguanine ; NSC 37364 ; O(sup 6)-Methylguanine ; Purine, 2-amino-6-methoxy- ; 1H-Purin-2-amine, 6-methoxy- ; Purine, 2-amino-6-methoxy- (8CI) .It is a off-white solid.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H335 May cause respiratory irritation

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:165.156g/mol
  • Molecular Formula:C6H7N5O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.2
  • Exact Mass:165.065
  • Monoisotopic Mass:165.065
  • Complexity:166
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:89.7A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjoAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHgAQAAAACAgBlwYH9L7JlACg AQZhZASAiC2RcKABUaAtXBCGTABEaEgVBCgKAApQICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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