- InChI
- InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
- InChI Key
- HNXQXTQTPAJEJL-UHFFFAOYSA-N
- Formula
- C6H5N5O
- SMILES
- N=c1nc(O)c2nccnc2[nH]1
- Molecular Weight1
- 163.14
- CAS
- 2236-60-4
- Other Names
-
- Pteridoxamine
- Pterin
- Quinonoid dihydropterin, 2-amino-
- 2-Amino-4(1H)-pteridinone
- 2-Amino-4(3H)-pteridinone
- 2-Amino-4-hydroxypteridine
- 2-Amino-4-pteridone
- 4-Oxopterin
- Pterine
- 2-Amino-4-oxopteridine
- NSC 11540
- NSC 170929
- NSC 18696
- 2-amino-1H-pteridin-4-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7037 | Relay (1.0) Calculated Property | |
| ΔfG° | 264.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 72.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 146.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.944 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 7458.58 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 591.93 | K | Relay (1.0) Calculated Property |
| Tc | 988.33 | K | Relay (1.0) Calculated Property |
| Tfus | 642.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4(1H)-Pteridinone, 2-amino-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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