Chemical Properties of Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro- (CAS 1498-88-0)

Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-

InChI
InChI=1S/C19H18N2O3/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3
InChI Key
PSXPTGAEJZYNFI-UHFFFAOYSA-N
Formula
C19H18N2O3
SMILES
CN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2
Molecular Weight1
322.36
CAS
1498-88-0
Other Names
  • Spiro[2H-1-benzopyran-2,2'-indoline], 1',3',3'-trimethyl-6-nitro-
  • 1',3',3'-Trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-indoline]
  • 6'-Nitro-1,3,3-trimethylindolinobenzopyrylspiran
  • 1,3,3-Trimethylindolino-6'-nitrobenzopyrylospiran
  • Spiro(2H-1-benzopyran-2,2'-indoline), 6-nitro-1',3',3'-trimethyl-
  • 1,3,3-Trimethyl-6'-nitroindoline-2-spiro-2'-benzopyran
  • 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
  • 1',3',3'-Trimethyl-6-nitro-spiro[2-(2H-benzopyran)-2'-indolenine]
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Physical Properties

Property Value Unit Source
ω 0.6635 Relay (1.0) Calculated Property
ΔfG° 337.85 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 83.41 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 115.89 kJ/mol Relay (1.0) Calculated Property
IE 7.24 eV Relay (1.0) Calculated Property
log10WS -5.22 Relay (1.0) Calculated Property
logPoct/wat 4.124 Crippen Calculated Property
McVol 238.300 ml/mol McGowan Calculated Property
Pc 2017.25 kPa Relay (1.0-beta) Calculated Property
Tboil 657.84 K Relay (1.0) Calculated Property
Tc 1030.93 K Relay (1.0) Calculated Property
Tfus 432.34 K Relay (1.0) Calculated Property
Vc 0.852 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-.

Sources

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