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Predicted properties of the compound entered.

ID GFFGJBXGBJISGV-UHFFFAOYSA-N
Formula C5H5N5
IUPAC Name 3H-purin-6-amine
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Standard InChIKey (User Input) InChIKey=GFFGJBXGBJISGV-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 7H-purin-6-amine | 7H-purin-6-ylamine | 73-24-5 | 22051-90-7 | 42911-33-1 | 42911-34-2 | 520-75-2 | NSC 14666 | Purine, 6-amino- | USAF CB-18 | Vitamin B4 | A2426_SIGMA | Adenine-8-14C | nchembio.2007.56-comp15 | AIDS-024374 | AIDS024374 | KBio2_002562 | D00034 | KBio2_005130 | Adenine-UL-14C | DivK1c_006631 | InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10 | ST5298870 | A8626_SIGMA | A2786_SIGMA | Vitamin- B4 | Adenine (JAN/USP) | cMAP_000085 | 6-Aminopurine | C00147 | KBioGR_002562 | Spectrum3_000616 | SPBio_000426 | Spectrum4_001891 | KBioSS_001586 | Spectrum_001106 | SPECTRUM1500807 | Spectrum2_000583 | KBioGR_002447 | NCI60_000998 | 9H-purin-6-amine | CHEBI:16708 | A7215_SIGMA | Oprea1_057274 | KBio3_001652 | MLS001066342 | SMR000471871 | 1H-Purin-6-amine (9CI) | SpecPlus_000535 | KBio2_001586 | KBio3_003040 | KBio2_004154 | KBio2_006722 | NCGC00094856-01 | 2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE | BSPBio_002152 | Adenine (8CI) | NCGC00094856-02 | NSC14666 | A5665_SIGMA | ZINC00000882 | Leucon (TN) | Adenin | Pedatisectine B | ANE | 1H-Purine, 6-amino- | ADENINE-RING | WLN: T56 BM DN FN HNJ IZ | KBio2_007698 | AD2 | Spectrum5_000542 | KBioSS_002571 | KBio1_001575 | SDCCGMLS-0066584.P001 | 1,6-Dihydro-6-iminopurine | 1H-Purin-6-amine | 1H-Purine, 6-amino | 3,6-Dihydro-6-iminopurine | 6-Amino-1H-purine | 6-Amino-3H-purine | 6-Amino-7H-purine | 6-Amino-9H-purine | 9H-Purine, 1,6-dihydro-6-imino- | ADE | AI3-50679 | ADENINE | Adenine [JAN] | Adeninimine | CCRIS 2556 | EINECS 200-796-1 | Leuco-4
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
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Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
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Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
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Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
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Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
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Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
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HSQC/HMBC prediction -
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