Chemical Properties of Cyanocobalamin (CAS 68-19-9)

Cyanocobalamin

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InChI
InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2
InChI Key
RMRCNWBMXRMIRW-UHFFFAOYSA-L
Formula
C63H88CoN14O14P
SMILES
CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[C]#N.[Co]
Molecular Weight1
1355.37
CAS
68-19-9
Other Names
  • vitamin B12
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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [16.34; 587.60] J/mol×K [10.04; 94.32] Show
T(K)
Solid phase heat capacity (J/mol×K)
0
100
200
300
400
500
600
20
40
60
80
Cp,solid 16.34 J/mol×K 10.04 Low-tem...
Cp,solid 17.75 J/mol×K 10.42 Low-tem...
Cp,solid 20.67 J/mol×K 11.04 Low-tem...
Cp,solid 23.28 J/mol×K 11.60 Low-tem...
Cp,solid 26.23 J/mol×K 12.21 Low-tem...
Cp,solid 29.45 J/mol×K 12.83 Low-tem...
Cp,solid 32.91 J/mol×K 13.46 Low-tem...
Cp,solid 36.48 J/mol×K 14.11 Low-tem...
Cp,solid 40.46 J/mol×K 14.75 Low-tem...
Cp,solid 44.40 J/mol×K 15.40 Low-tem...
Cp,solid 48.53 J/mol×K 16.07 Low-tem...
Cp,solid 52.68 J/mol×K 16.74 Low-tem...
Cp,solid 56.79 J/mol×K 17.42 Low-tem...
Cp,solid 61.22 J/mol×K 18.11 Low-tem...
Cp,solid 65.76 J/mol×K 18.81 Low-tem...
Cp,solid 70.36 J/mol×K 19.51 Low-tem...
Cp,solid 75.13 J/mol×K 20.22 Low-tem...
Cp,solid 84.87 J/mol×K 21.61 Low-tem...
Cp,solid 99.82 J/mol×K 23.71 Low-tem...
Cp,solid 115.30 J/mol×K 25.87 Low-tem...
Cp,solid 131.90 J/mol×K 28.07 Low-tem...
Cp,solid 149.10 J/mol×K 30.31 Low-tem...
Cp,solid 166.20 J/mol×K 32.58 Low-tem...
Cp,solid 183.40 J/mol×K 34.87 Low-tem...
Cp,solid 201.20 J/mol×K 37.22 Low-tem...
Cp,solid 219.00 J/mol×K 39.58 Low-tem...
Cp,solid 237.30 J/mol×K 41.96 Low-tem...
Cp,solid 255.00 J/mol×K 44.36 Low-tem...
Cp,solid 272.20 J/mol×K 46.78 Low-tem...
Cp,solid 289.00 J/mol×K 49.21 Low-tem...
Cp,solid 306.60 J/mol×K 51.65 Low-tem...
Cp,solid 323.60 J/mol×K 54.11 Low-tem...
Cp,solid 340.40 J/mol×K 56.59 Low-tem...
Cp,solid 357.90 J/mol×K 59.07 Low-tem...
Cp,solid 374.80 J/mol×K 61.56 Low-tem...
Cp,solid 392.40 J/mol×K 64.06 Low-tem...
Cp,solid 410.30 J/mol×K 66.57 Low-tem...
Cp,solid 427.90 J/mol×K 69.08 Low-tem...
Cp,solid 445.20 J/mol×K 71.59 Low-tem...
Cp,solid 461.60 J/mol×K 74.09 Low-tem...
Cp,solid 477.80 J/mol×K 76.59 Low-tem...
Cp,solid 493.20 J/mol×K 79.11 Low-tem...
Cp,solid 508.50 J/mol×K 81.63 Low-tem...
Cp,solid 523.60 J/mol×K 84.15 Low-tem...
Cp,solid 540.30 J/mol×K 86.69 Low-tem...
Cp,solid 556.20 J/mol×K 89.22 Low-tem...
Cp,solid 571.80 J/mol×K 91.77 Low-tem...
Cp,solid 587.60 J/mol×K 94.32 Low-tem...

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