Chemical Properties of 9H-purine, 6-aziridinyl-9-benzyl-2-chloro- (CAS 92291-23-1)

9H-purine, 6-aziridinyl-9-benzyl-2-chloro-

InChI
InChI=1S/C14H12ClN5/c15-14-17-12(19-6-7-19)11-13(18-14)20(9-16-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChI Key
NNZIPUWEWYCMBT-UHFFFAOYSA-N
Formula
C14H12ClN5
SMILES
Clc1nc(N2CC2)c2ncn(Cc3ccccc3)c2n1
Molecular Weight1
285.73
CAS
92291-23-1
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Physical Properties

Property Value Unit Source
ω 0.6749 Relay (1.0) Calculated Property
ΔfG° 531.11 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 398.12 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.09 kJ/mol Relay (1.0) Calculated Property
IE 8.40 eV Relay (1.0) Calculated Property
log10WS -4.63 Relay (1.0) Calculated Property
logPoct/wat 2.348 Crippen Calculated Property
McVol 196.720 ml/mol McGowan Calculated Property
Pc 2972.23 kPa Relay (1.0-beta) Calculated Property
Tboil 681.32 K Relay (1.0) Calculated Property
Tc 1017.79 K Relay (1.0) Calculated Property
Tfus 465.09 K Relay (1.0) Calculated Property
Vc 0.775 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine, 6-aziridinyl-9-benzyl-. 9H-purine, 2-amino-6-aziridinyl-9-benzyl-. Ethanol, 2,2'-[(9-benzyl-9h-purin-6-yl)imino]di-. Purine, 6-aziridinyl-9-benzyl-8-chloro-. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. inosine-5'-monophosphate, TMS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS.

Find more compounds similar to 9H-purine, 6-aziridinyl-9-benzyl-2-chloro-.

Sources

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