Chemical Properties of 2-Amino-6-methyl-4-oxo-1,3,3a,7-tetrazaindene (CAS 72436-99-8)

2-Amino-6-methyl-4-oxo-1,3,3a,7-tetrazaindene

InChI
InChI=1S/C6H7N5O/c1-3-2-4(12)11-6(8-3)9-5(7)10-11/h2H,1H3,(H3,7,8,9,10)
InChI Key
PQJWDADCCRTLQZ-UHFFFAOYSA-N
Formula
C6H7N5O
SMILES
Cc1cc(=O)n2nc(N)nc2[nH]1
Molecular Weight1
165.15
CAS
72436-99-8
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Physical Properties

Property Value Unit Source
ω 0.6473 Relay (1.0) Calculated Property
ΔfG° 287.03 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 79.03 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 114.97 kJ/mol Relay (1.0) Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
log10WS -2.18 Relay (1.0) Calculated Property
logPoct/wat -1.174 Crippen Calculated Property
McVol 112.250 ml/mol McGowan Calculated Property
Pc 5449.93 kPa Relay (1.0-beta) Calculated Property
Tboil 610.28 K Relay (1.0) Calculated Property
Tc 940.82 K Relay (1.0) Calculated Property
Tfus 584.57 K Relay (1.0) Calculated Property
Vc 0.440 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

6-Methyl, 2-methylmercapto-4-oxo-1,3,3a,7-tetrazaindene. 2,6-Diamino-4-oxo-1,3,3a,7-tetrazaindene mono-hydrochloride. 2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate. Uridine, 2',3',5'-tris-O-acetyl. Benzquinamide. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Morazone. Metopon. Carteolol, PFB-TMS. Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. Carteolol, acetylated. 2,6-Methano-1,4(2h)-benzoxazocin, 4(3h)-cyclopropyl-6(5h)-phenyl-. Retroisosenine. Baptifoline. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS.

Find more compounds similar to 2-Amino-6-methyl-4-oxo-1,3,3a,7-tetrazaindene.

Sources

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