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Cas Database |
| Name |
2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride |
EINECS | 213-412-2 |
| CAS No. | 73978-41-3 | Density | N/A |
| PSA | 123.83000 | LogP | 1.04090 |
| Solubility | 10g/L at 20℃ | Melting Point |
220ºC(lit.) |
| Formula | C7H9ClN6O | Boiling Point | 560.2 °C at 760 mmHg |
| Molecular Weight | 228.641 | Flash Point | 292.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38-36-22 |
| Molecular Structure |
|
Hazard Symbols | Xi,Xn |
| Synonyms |
6-Pteridinemethanol,2,4-diamino-, monohydrochloride (9CI);2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride;2,4-Diaminopyrimido[4,5-b]pyrazine-6-methanol monohydrochloride; |
Article Data | 3 |
2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride Synthetic route
- 1004-74-6
2,4,5,6-tetraaminopyrimidine
- 96-26-4
dihydroxyacetone
- 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride
| Conditions | Yield |
|---|---|
| With oxygen; DL-cysteine hydrochloride; ammonium chloride In water for 36h; | 70% |
- 96-26-4
dihydroxyacetone
- 5392-28-9
2,4,5,6-tetraaminopyrimidine sulfate
- 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; l-cysteine hydrochloride; oxygen; ammonium chloride; barium(II) chloride 1.) H2O, 90 deg C, 15 min, 2.) H2O, RT, 45 h; Yield given. Multistep reaction; |
- 62147-49-3
1,3-dihydroxyacetone dimer
- 10318-18-0
DL-cysteine hydrochloride
- 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride
| Conditions | Yield |
|---|---|
| With ammonium chloride In water | 17.2 g (45%) |
2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride Specification
This chemical is called 6-Pteridinemethanol,2,4-diamino-, hydrochloride (1:1), and its systematic name is (2,4-diaminopteridin-6-yl)methanol hydrochloride. With the molecular formula of C7H9ClN6O, its molecular weight is 246.64. The CAS registry number of this chemical is 73978-41-3.
Other characteristics of the 6-Pteridinemethanol,2,4-diamino-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.53; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.12; (8)ACD/KOC (pH 7.4): 4.02; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.27 Å2; (13)Flash Point: 292.6 °C; (14)Enthalpy of Vaporization: 88.67 kJ/mol; (15)Boiling Point: 560.2 °C at 760 mmHg; (16)Vapour Pressure: 2.19E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.n1c2c(ncc1CO)nc(nc2N)N
2.InChI: InChI=1/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
3.InChIKey: XZHMPUJCSYVIQL-UHFFFAOYAU
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