Chemical Properties of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester (CAS 116632-73-6)

Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester

InChI
InChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)13-14-15(9)8-6-4-3-5-7-8/h3-7H,2,12H2,1H3
InChI Key
KYWFKGSZLZLJKF-UHFFFAOYSA-N
Formula
C11H12N4O2
SMILES
CCOC(=O)c1c(N)nnn1-c1ccccc1
Molecular Weight1
232.24
CAS
116632-73-6
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Physical Properties

Property Value Unit Source
ω 0.7361 Relay (1.0) Calculated Property
ΔfG° 208.84 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -9.06 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 93.99 kJ/mol Relay (1.0) Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
log10WS -3.42 Relay (1.0) Calculated Property
logPoct/wat 1.026 Crippen Calculated Property
McVol 169.990 ml/mol McGowan Calculated Property
Pc 3007.75 kPa Relay (1.0-beta) Calculated Property
Tboil 631.83 K Relay (1.0) Calculated Property
Tc 911.21 K Relay (1.0) Calculated Property
Tfus 435.49 K Relay (1.0) Calculated Property
Vc 0.642 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Cytosine arabinoside, buto-oxime-TMS derivative. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Coumafuryl. Cytidine, etho-oxime-TMS derivative. Yohimbine. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Cytidine, buto-oxime-TMS derivative.

Find more compounds similar to Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester.

Sources

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