UCSF

ZINC00081096

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2,3,4,9-tetrahydro-1H-carbazol-1-one 2,3,4,9-tetrahydro-1H-carbazol-1…

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CAS Numbers: , 3456-99-3 , [3456-99-3]

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 6 -7.72 1 2 0 33 185.226 0 ↓
Ref Reference (pH 7) 1.92 5.43 -28.75 1 2 1 31 186.234 0 ↓
Ref Reference (pH 7) 1.92 5.43 -28.76 1 2 1 31 186.234 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 164 - 165 KeyOrganics
MP 164-165° Matrix Scientific
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0010029A2; EP0028270A1; EP0095067A2; US4258043; US4271073; US4434290; US4485240 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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