Name: 6-O-Benzylguanine
SKU: 19916-73-5

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Basic Information

Molecular Structure:
CAS No.:	19916-73-5
Name:	6-O-Benzylguanine
Article Data:	21

Formula:	C₁₂H₁₁N₅O
Molecular Weight:	241.252
Synonyms:	2-Amino-6-(phenylmethoxy)-9H-purine;6-(Benzyloxy)guanine;NSC 637037;O6-Benzylguanine;1H-Purin-2-amine,6-(phenylmethoxy)- (9CI);Purine, 2-amino-6-(benzyloxy)- (7CI,8CI);2-Amino-6-(benzyloxy)purine;
EINECS:	1592732-453-0
Density:	1.431 g/cm³
Melting Point:	193 °C
Boiling Point:	621.4 °C at 760 mmHg
Flash Point:	329.6 °C
Solubility:	methanol: 20 mg/mL
Appearance:	light yellow solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	89.71000
LogP:	2.09530

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Chemistry

Molecular Structure of O(6)-Benzylguanine (CAS NO.19916-73-5):

Molecular Formula: C₁₂H₁₁N₅O
Molecular Weight: 241.25g/mol
Mol File: 19916-73-5.mol
Melting Point: 193 °C
Boiling point: 621.4 °C at 760 mmHg
Flash Point: 329.6 °C
Density: 1.431 g/cm³
Surface Tension: 82.4 dyne/cm
Enthalpy of Vaporization: 92.07 kJ/mol
Vapour Pressure: 2.3E-15 mmHg at 25 °C
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 5
Solubility: methanol: 20 mg/mL
Appearance: Light Yellow Solid
IUPAC Name: 6-Phenylmethoxy-7H-purin-2-amine
Canonical SMILES: C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
InChI: InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey: KRWMERLEINMZFT-UHFFFAOYSA-N
Product Categories: Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Alkylguanine-DNA alkyltransferase, mammalian DNA repair proteinApoptosis and Cell Cycle; DNA Repair Regulators; A to; DNA metabolism; Enzyme Inhibitors by Enzyme

Uses

O(6)-Benzylguanine (CAS NO.19916-73-5) is used as an irreversible inhibitor of the mammalian DNA repair protein, O6-alkylguanine-DNA alkyltransferase. It assists in the protection against carcinogenic and therapeutic alkylating agents.

Safety Profile

Safety Information of O(6)-Benzylguanine (CAS NO.19916-73-5):
Hazard Codes: Xi Irritant
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
Hazard Note: Irritant

Specification

O(6)-Benzylguanine , its CAS NO. is 19916-73-5, the synonyms are 2-Amino-6-(benzyloxy)purine ; 2-Amino-6-(phenylmethoxy)-9H-purine ; 6-(Benzyloxy)guanine ; 6-(Phenylmethoxy)-1H-purin-2-amine ; 6-O-Benzylguanine ; O(6)-Bgua ; O6-Benzylguanine ; Purine, 2-amino-6-(benzyloxy)- ; 1H-Purin-2-amine, 6-(phenylmethoxy)- .