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126149-77-7

Basic Information
CAS No.: 126149-77-7
Name: 1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,4-amino-,methylester(9CI)
Molecular Structure:
Molecular Structure of 126149-77-7 (1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,4-amino-,methylester(9CI))
Formula: C8H8N4O2
Molecular Weight: 192.17500
Synonyms: Ethyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;
Density: 1.495 g/cm3
Boiling Point: 322.1±52.0 °C(Predicted)
PSA: 93.89000
LogP: 0.90790
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Chemistry

Systematic Name: 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 4-amino-, methyl ester
Synonyms of Methyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS NO.126149-77-7): Ethyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CAS NO: 126149-77-7
Molecular Formula: C8H8N4O2
Molecular Weight: 192.17
Molecular Structure:
EINECS: 205-481-2
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 93.89 Å2
Index of Refraction: 1.719
Molar Refractivity: 50.72 cm3
Molar Volume: 128.4 cm3
Surface Tension: 84.5 dyne/cm
Density: 1.495 g/cm3
SMILES: COC(=O)c1c[nH]c2c1c(ncn2)N
InChI: InChI=1/C8H8N4O2/c1-14-8(13)4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,1H3,(H3,9,10,11,12)
InChIKey: CZYXVFNNUIUREC-UHFFFAOYAG
Std. InChI: InChI=1S/C8H8N4O2/c1-14-8(13)4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,1H3,(H3,9,10,11,12)
Std. InChIKey: CZYXVFNNUIUREC-UHFFFAOYSA-N
Product Categories of Methyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS NO.126149-77-7): AMINOACID