5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine supplier

Name
5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine
EINECS
CAS No. 67139-22-4
Article Data2
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 106-109℃
Formula C₆H₉N₃
Boiling Point 277.1 °C at 760 mmHg
Molecular Weight 123.16
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Imidazo[1,2-a]pyrimidine,5,6,7,8-tetrahydro- (9CI);5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine(HCl salt);
PSA 29.85000
LogP 0.83670

5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine Specification

The IUPAC name of Imidazo[1,2-alpha]pyrimidine,1,5,6,7-tetrahydro- is 1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidine. With the CAS registry number 67139-22-4, it is also named as 5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine. The product's category is Chiral Chemicals. In addition, its molecular formula is C₆H₉N₃ and its molecular weight is 123.16.

The other characteristics of Imidazo[1,2-alpha]pyrimidine,1,5,6,7-tetrahydro- can be summarized as: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3.04; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 29.85 Å²; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 35.15 cm³; (13)Molar Volume: 92 cm³; (14)Polarizability: 13.93×10^-24cm³; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.33 g/cm³; (17)Flash Point: 121.4 °C; (18)Enthalpy of Vaporization: 51.57 kJ/mol; (19)Boiling Point: 277.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00461 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cn2CCCNc2n1
(2)InChI: InChI=1/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h3,5H,1-2,4H2,(H,7,8)
(3)InChIKey: VCZBRPRKZKPDQD-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h3,5H,1-2,4H2,(H,7,8)
(5)Std. InChIKey: VCZBRPRKZKPDQD-UHFFFAOYSA-N

Product Name

5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine

5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine Specification

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