Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 2-amino-7,8-dihydro-, 1,1-dimethylethyl ester supplier

Name
YRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 2-AMINO-7,8-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
EINECS
CAS No. 869198-95-8
Article Data12
CAS DataBase
Density 1.231 g/cm³
Solubility
Melting Point 170-172 °C
Formula C₁₂H₁₈N₄O₂
Boiling Point 443.7 °C at 760 mmHg
Molecular Weight 250.301
Flash Point 222.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;2-Amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester;6-Boc-2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;AC1Q1N2R;ZINC20866982;
PSA 81.34000
LogP 1.87110

Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 2-amino-7,8-dihydro-, 1,1-dimethylethyl ester Specification

The Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 2-amino-7,8-dihydro-, 1,1-dimethylethyl ester with CAS registry number of 869198-95-8 is also known as 2-Amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester. The IUPAC name is tert-Butyl 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate. In addition, the formula is C₁₂H₁₈N₄O₂and the molecular weight is 250.30.

Physical properties about Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 2-amino-7,8-dihydro-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.51; (2)ACD/LogD (pH 5.5): 0.47; (3)ACD/LogD (pH 7.4): 0.5; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 67.22 cm³; (9)Molar Volume: 203.2 cm³; (10)Surface Tension: 57.6 dyne/cm; (11)Density: 1.231 g/cm³; (12)Flash Point: 222.1 °C; (13)Enthalpy of Vaporization: 70.14 kJ/mol; (14)Boiling Point: 443.7 °C at 760 mmHg; (15)Vapour Pressure: 4.55E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)OC(=O)N1CCc2c(cnc(n2)N)C1
2. InChI: InChI=1/C12H18N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)6-14-10(13)15-9/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
3. InChIKey: PGNLVGKPNUNOJE-UHFFFAOYAD
4. Std. InChI: InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)6-14-10(13)15-9/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
5. Std. InChIKey: PGNLVGKPNUNOJE-UHFFFAOYSA-N

Product Name

YRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 2-AMINO-7,8-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER

Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 2-amino-7,8-dihydro-, 1,1-dimethylethyl ester Specification

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