-
Name
(S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate
- EINECS
- CAS No. 69614-04-6
- Article Data19
- CAS DataBase
- Density 1.56 g/cm3
- Solubility
- Melting Point 165-167 ℃
- Formula C8H9N3O3
- Boiling Point
- Molecular Weight 195.178
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate;NSC 249994;
- PSA 73.22000
- LogP -0.13270
Methyl (S)-5,6,7,8-tetrahydro-5-oxoimidazo[1,5-c]pyrimidine-7-carboxylate Specification
The CAS register number of Methyl (S)-5,6,7,8-tetrahydro-5-oxoimidazo[1,5-c]pyrimidine-7-carboxylate is 69614-04-6. It also can be called as (S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate and the systematic name about this chemical is methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate. The molecular formula about this chemical is C8H9N3O3 and the molecular weight is 195.18.
Physical properties about Methyl (S)-5,6,7,8-tetrahydro-5-oxoimidazo[1,5-c]pyrimidine-7-carboxylate are: (1)ACD/LogP: -1.18; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.39; (5)ACD/KOC (pH 7.4): 5.43; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 64.43 Å2; (10)Index of Refraction: 1.682; (11)Molar Refractivity: 47.28 cm3; (12)Molar Volume: 124.7 cm3; (13)Polarizability: 18.74x10-24cm3; (14)Surface Tension: 62.1 dyne/cm; (15)Density: 1.56 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2NC(=O)n1c(cnc1)C2
(2)InChI: InChI=1/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)
(3)InChIKey: MSWBJDHMQDISQH-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)
(5)Std. InChIKey: MSWBJDHMQDISQH-UHFFFAOYSA-N
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