Chemical Properties of Buspirone (CAS 36505-84-7)

Buspirone

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InChI
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
InChI Key
QWCRAEMEVRGPNT-UHFFFAOYSA-N
Formula
C21H31N5O2
SMILES
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
Molecular Weight1
385.50
CAS
36505-84-7
Other Names
  • 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
  • 8-Azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)-
  • 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
  • 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
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Physical Properties

Property Value Unit Source
ω 0.8489 Relay (... Calculated Property
ΔfG° 363.26 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -254.86 kJ/mol Relay (... Calculated Property
ΔvapH° 126.70 kJ/mol Relay (... Calculated Property
IE 8.97 eV Relay (... Calculated Property
log10WS -2.15 Relay (... Calculated Property
logPoct/wat 2.088 Crippen Calculated Property
McVol 303.450 ml/mol McGowan Calculated Property
Pc 1171.03 kPa Relay (... Calculated Property ⚠️
Tboil 739.47 K Relay (... Calculated Property
Tc 1038.93 K Relay (... Calculated Property
Tfus 396.18 K Relay (... Calculated Property
Vc 1.101 m3/kmol Relay (... Calculated Property

Similar Compounds

7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. ethyl eburnamenine-14-carboxylate. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 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. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl.

Find more compounds similar to Buspirone.

Sources

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