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611-55-2 molecular structure
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2-amino-6,7-dimethylpteridin-4-ol

ChemBase ID: 103010
Molecular Formular: C8H9N5O
Molecular Mass: 191.18996
Monoisotopic Mass: 191.08070993
SMILES and InChIs

SMILES:
Cc1nc2nc(N)nc(O)c2nc1C
Canonical SMILES:
Nc1nc(O)c2c(n1)nc(c(n2)C)C
InChI:
InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)
InChIKey:
ZKWZUPPXTCQQJL-UHFFFAOYSA-N

Cite this record

CBID:103010 http://www.chembase.cn/molecule-103010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-6,7-dimethylpteridin-4-ol
IUPAC Traditional name
2-amino-6,7-dimethylpteridin-4-ol
Synonyms
2-Amino-6,7-dimethyl-4-hydroxypteridine
2-Amino-6,7-dimethyl-4-pteridinol
2-AMINO-4-HYDROXY-6,7-DIMETHYL PTERIDINE
2-AMINO-6,7-DIMETHYL-4-HYDROXYPTERIDINE
2-Amino-6,7-dimethyl-4-hydroxypteridine
2-氨基-6,7-二甲基-4-羟基他啶水合物
2-氨基-6,7-二甲基-4-羟基蝶啶
CAS Number
611-55-2
EC Number
210-270-3
MDL Number
MFCD00006706
Beilstein Number
168607
PubChem SID
24890951
162090255
PubChem CID
5355290

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.551443  H Acceptors
H Donor LogD (pH = 5.5) 0.10404337 
LogD (pH = 7.4) 0.1037633  Log P 0.10406518 
Molar Refractivity 51.8113 cm3 Polarizability 18.914635 Å3
Polar Surface Area 97.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
97% dry basis expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C8H9N5O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205453 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A51602 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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