| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 9 | Yes |
Popular Name: Indene Indene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60264-97-3 , 95-13-6 , [95-13-6]
1H-Indene, 90+%, stab. with 0.01% 4-tert-butylcatechol
1H-Indene; EINECS 202-393-6; HSDB 5286; Inden; Indene; Indonaphthene; LS-81591; NSC 9270
azidobenzene; 1H-indene; prop-1-en-2-ylbenzene; nsc122351
Indene, 90%, tech., stabilized
| 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) | 2.48 | 6.29 | -3.37 | 0 | 0 | 0 | 0 | 116.163 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 2 - -2 | Enamine Building Blocks |
| MP | 2 - 0 | Enamine Building Blocks |
| MP | 3 - -2 | Enamine Building Blocks |
| MP | 4 - -2 | Enamine Building Blocks |
| MP | 4...-2 | Enamine Building Blocks |
| Mp [°C] | 5 | Acros Organics |
| BP | 180 | TCI |
| BP [°C] | 181 | Acros Organics |
| Boiling_Point | 181-182? | Alfa-Aesar |
| Boiling_Point | 181-182° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 9.68e-02 g/l | DrugBank-experimental |
| purity | 95 | Enamine Building Blocks |
| Melting_Point | ca -2? | Alfa-Aesar |
| Melting_Point | ca -2° | Alfa-Aesar |
| Patent Database Links | EP0805190; EP1193254; EP1215192; EP1238971; EP1408090; EP1457548; EP1522580; EP1661881; EP1690852; EP1700844; EP1767524; US2002019440; US2002165206; US2003018056; US2003158259; US2004002521; US2005070720; US2005250814; US2005261325; US2005261327; US200526 | ChEBI |
| PUBCHEM_PATENT_ID | EP0968164A1; WO1998033758A1 | IBM Patent Data |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| UniProt Database Links | HSAD_MYCTU; HSAD_RHOSR; LIMA_RHOER | ChEBI |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R20: Harmful by inhalation. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.