Chemical Properties of As-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl- (CAS 4046-86-0)

As-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl-

InChI
InChI=1S/C13H15N5O/c1-18-10-6-3-2-5-9(10)11-12(18)15-13(17-16-11)14-7-4-8-19/h2-3,5-6,19H,4,7-8H2,1H3,(H,14,15,17)
InChI Key
HAFUDIVSEQDBAY-UHFFFAOYSA-N
Formula
C13H15N5O
SMILES
Cn1c2ccccc2c2nnc(=NCCCO)[nH]c21
Molecular Weight1
257.29
CAS
4046-86-0
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Physical Properties

Property Value Unit Source
ω 0.9381 Relay (1.0) Calculated Property
ΔfG° 404.79 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 194.70 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 143.62 kJ/mol Relay (1.0) Calculated Property
IE 7.76 eV Relay (1.0) Calculated Property
log10WS -2.67 Relay (1.0) Calculated Property
logPoct/wat 0.251 Crippen Calculated Property
McVol 191.420 ml/mol McGowan Calculated Property
Pc 3848.89 kPa Relay (1.0-beta) Calculated Property
Tboil 714.12 K Relay (1.0) Calculated Property
Tc 1070.92 K Relay (1.0) Calculated Property
Tfus 491.27 K Relay (1.0) Calculated Property
Vc 0.715 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Carteolol hydroxy, acetylated. inosine-5'-monophosphate, TMS. Oxymorphone, bis(trimethylsilyl) ether. Tazettine. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Oxycodone. Cytidine, etho-oxime-TMS derivative. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. guanosine, TMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. xanthosine-5'-monophosphate, TMS. Oxymorphone.

Find more compounds similar to As-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl-.

Sources

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