Chemical Properties of Adenine (CAS 73-24-5)

Adenine

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InChI
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChI Key
GFFGJBXGBJISGV-UHFFFAOYSA-N
Formula
C5H5N5
SMILES
Nc1ncnc2[nH]cnc12
Molecular Weight1
135.13
CAS
73-24-5
Other Names
  • 1,6-Dihydro-6-iminopurine
  • 1H-Purin-6-amine
  • 1H-Purine, 6-amino-
  • 1H-Purine-6-amine
  • 3,6-Dihydro-6-iminopurine
  • 6-Amino-1H-purine
  • 6-Amino-3H-purine
  • 6-Amino-7H-purine
  • 6-Amino-9H-purine
  • 6-Aminopurine
  • 9H-Purin-6-yl-amine
  • 9H-Purine, 1,6-dihydro-6-imino-
  • 9H-Purine-6-amine
  • ADE
  • Adenin
  • Adeninimine
  • Leuco-4
  • NSC 14666
  • Purine, 6-amino-
  • USAF CB-18
  • Vitamin B4
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Physical Properties

Property Value Unit Source
PAff 942.80 kJ/mol NIST
BasG 912.50 kJ/mol NIST
Δcsolid [-2779.00; -2778.10] kJ/mol Show Hide
Δcsolid -2779.00 ± 1.30 kJ/mol NIST
Δcsolid -2778.10 ± 0.88 kJ/mol NIST
EA 0.01 ± 0.01 eV NIST
Δfsolid [96.02; 96.90] kJ/mol Show Hide
Δfsolid 96.90 ± 1.30 kJ/mol NIST
Δfsolid 96.02 ± 0.92 kJ/mol NIST
Δsub 110.00 kJ/mol NIST
IE [8.30; 8.90] eV Show Hide
IE 8.30 ± 0.10 eV NIST
IE 8.90 ± 0.10 eV NIST
IE 8.48 eV NIST
IE 8.48 eV NIST
IE 8.44 ± 0.03 eV NIST
log10WS [-2.43; -2.10]   Show Hide
log10WS -2.43 Rytting...
log10WS -2.10 Aq. Sol...
log10WS -2.12 Estimat...
logPoct/wat -0.547 Crippen Calculated Property
McVol 92.290 ml/mol McGowan Calculated Property
Inp 1836.00 NIST
solid,1 bar 151.01 J/mol×K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [143.13; 147.00] J/mol×K [298.00; 298.10] Show Hide
Cp,solid 147.00 J/mol×K 298.00 NIST
Cp,solid 143.13 J/mol×K 298.10 NIST
ΔsubH [109.20; 127.20] kJ/mol [421.00; 460.50] Show Hide
ΔsubH 127.20 ± 1.90 kJ/mol 421.00 NIST
ΔsubH 109.20 kJ/mol 460.50 NIST
ρl [1070.30; 1097.60] kg/m3 [298.15; 343.15] Show Hide
ρl 1097.60 kg/m3 298.15 Nucleic...
ρl 1094.50 kg/m3 303.15 Nucleic...
ρl 1091.40 kg/m3 308.15 Nucleic...
ρl 1088.40 kg/m3 313.15 Nucleic...
ρl 1085.30 kg/m3 318.15 Nucleic...
ρl 1082.30 kg/m3 323.15 Nucleic...
ρl 1079.30 kg/m3 328.15 Nucleic...
ρl 1076.20 kg/m3 333.15 Nucleic...
ρl 1073.30 kg/m3 338.15 Nucleic...
ρl 1070.30 kg/m3 343.15 Nucleic...

Similar Compounds

Adenine, 2-chloro-. 1H-Purin-6-amine, N-methyl-. 9H-purine, 6-hydrazino-. Acetone, purin-6-yl hydrazone. Ethanol, 2-[(6-amino-9h-purin-2-yl)thio]-. Adenine, N4-trifluoroacetyl-. 1H-Purin-6-amine, N,N-dimethyl-. Adenine, N4-acetyl-. Semicarbazide, 1-(9h-purin-6-yl)-3-thio. 7H-Purin-6-amine, 7-methyl-. Pyruvic acid, 9h-purin-6-yl-hydrazone. Adenine, 2-(methylthio)-. isoguanine. Adenine, n-(p-nitrophenyl)-. 9H-purine, 6-[4-methyl-3-thiosemicarbazido]-.

Find more compounds similar to Adenine.

Mixtures

Sources

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