2-(2-ISOPROPYL-PHENYLAMINO)-BENZOIC ACID
2-(2-ISOPROPYL-PHENYLAMINO)-BENZOIC ACID structure
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Common Name | 2-(2-ISOPROPYL-PHENYLAMINO)-BENZOIC ACID | ||
|---|---|---|---|---|
| CAS Number | 55751-56-9 | Molecular Weight | 255.31200 | |
| Density | 1.17g/cm3 | Boiling Point | 388.2ºC at 760 mmHg | |
| Molecular Formula | C16H17NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 188.6ºC | |
Summary: 2-(2-Propan-2-ylanilino)benzoic acid (CAS号：55751-56-9) is an organic compound with molecular formula C16H17NO2 and molecular weight 255.31200. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(2-propan-2-ylanilino)benzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.17g/cm3 |
|---|---|
| Boiling Point | 388.2ºC at 760 mmHg |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.31200 |
| Flash Point | 188.6ºC |
| Exact Mass | 255.12600 |
| PSA | 49.33000 |
| LogP | 4.32480 |
| Index of Refraction | 1.621 |
| InChIKey | KZXWOHADDPYBFJ-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccccc1Nc1ccccc1C(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922499990 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~71%
2-(2-ISOPROPYL-... CAS#:55751-56-9 |
| Literature: Georgetown University Patent: US2007/276140 A1, 2007 ; Location in patent: Page/Page column 20 ; |
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~75%
2-(2-ISOPROPYL-... CAS#:55751-56-9 |
| Literature: Wolf, Christian; Liu, Shuanglong; Mei, Xuefeng; August, Adam T.; Casimir, Michael D. Journal of Organic Chemistry, 2006 , vol. 71, # 8 p. 3270 - 3273 |
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~%
2-(2-ISOPROPYL-... CAS#:55751-56-9 |
| Literature: Liu, Gang; Szczepankiewicz, Bruce G.; Pei, Zhonghua; Janowick, David A.; Xin, Zhili; Hajduk, Philip J.; Abad-Zapatero, Cele; Liang, Heng; Hutchins, Charles W.; Fesik, Stephen W.; Ballaron, Steve J.; Stashko, Mike A.; Lubben, Tom; Mika, Amanda K.; Zinker, Bradley A.; Trevillyan, James M.; Jirousek, Michael R. Journal of Medicinal Chemistry, 2003 , vol. 46, # 11 p. 2093 - 2103 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922499990 |
|---|---|
| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(2'-isopropylphenylamino)benzoic acid |
| N-(2-Isopropylphenyl)anthranilic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2-(2-propan-2-ylanilino)benzoic acid have? |
| A: English synonyms of 2-(2-propan-2-ylanilino)benzoic acid: 2-(2'-isopropylphenylamino)benzoic acid, N-(2-Isopropylphenyl)anthranilic acid. |
| Q: What is the LogP of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: LogP of 2-(2-propan-2-ylanilino)benzoic acid is 4.32480. |
| Q: What is the SMILES notation of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: SMILES notation of 2-(2-propan-2-ylanilino)benzoic acid is CC(C)c1ccccc1Nc1ccccc1C(=O)O. |
| Q: What is the polar surface area (PSA) of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: Polar surface area (PSA) of 2-(2-propan-2-ylanilino)benzoic acid is 49.33000. |
| Q: What are the upstream materials of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: Related upstream materials(CAS) of 2-(2-propan-2-ylanilino)benzoic acid: 643-28-7;118-91-2;88-65-3;1488-42-2. |
| Q: What is the molecular formula of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: Molecular formula of 2-(2-propan-2-ylanilino)benzoic acid is C16H17NO2. |
| Q: What is the boiling point of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: Boiling point of 2-(2-propan-2-ylanilino)benzoic acid is 388.2ºC at 760 mmHg. |
| Q: What is the English name of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: The English name of 2-(2-propan-2-ylanilino)benzoic acid is 2-(2-propan-2-ylanilino)benzoic acid. |
| Q: What is the CAS number of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: CAS number of 2-(2-propan-2-ylanilino)benzoic acid is 55751-56-9. |
| Q: What is the InChIKey of 2-(2-propan-2-ylanilino)benzoic acid? |
| A: InChIKey of 2-(2-propan-2-ylanilino)benzoic acid is KZXWOHADDPYBFJ-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |