3-Amino-3-(4-cyanophenyl)propanoic acid
3-Amino-3-(4-cyanophenyl)propanoic acid structure
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Common Name | 3-Amino-3-(4-cyanophenyl)propanoic acid | ||
|---|---|---|---|---|
| CAS Number | 80971-95-5 | Molecular Weight | 190.199 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 395.4±37.0 °C at 760 mmHg | |
| Molecular Formula | C10H10N2O2 | Melting Point | 226-228ºC(dec) | |
| MSDS | N/A | Flash Point | 192.9±26.5 °C | |
Summary: 3-Amino-3-(4-cyanophenyl)propanoic acid (CAS number: 80971-95-5) is an organic compound with molecular formula C10H10N2O2 and molecular weight 190.199. 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 | 3-Amino-3-(4-cyanophenyl)propanoic 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 395.4±37.0 °C at 760 mmHg |
| Melting Point | 226-228ºC(dec) |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.199 |
| Flash Point | 192.9±26.5 °C |
| Exact Mass | 190.074234 |
| PSA | 87.11000 |
| LogP | 0.35 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.596 |
| InChIKey | JFPLLJRLBHIJPS-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(N)CC(=O)O)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~34%
3-Amino-3-(4-cy... CAS#:80971-95-5 |
| Literature: Pharmazie, , vol. 36, # 9 p. 607 - 609 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 3 | |
CAS#:500770-82-1
CAS#:718596-77-1
CAS#:738606-24-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Amino-3-(4-cyanophenyl)propanoic acid |
| 3-amino-3-(4-cyanophenyl)propionic acid |
| aminocyanophenylpropanoicacid |
| (+/-)-3-amino-3-(4-cyanophenyl)propanoic acid |
| (R)-3-Amino-3-(4-cyano-phenyl)-propionic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: Polar surface area (PSA) of 3-Amino-3-(4-cyanophenyl)propanoic acid is 87.11000. |
| Q: What is the melting point of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: Melting point of 3-Amino-3-(4-cyanophenyl)propanoic acid is 226-228ºC(dec). |
| Q: What is the molecular weight of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: Molecular weight of 3-Amino-3-(4-cyanophenyl)propanoic acid is 190.199. |
| Q: What is the English name of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: The English name of 3-Amino-3-(4-cyanophenyl)propanoic acid is 3-Amino-3-(4-cyanophenyl)propanoic acid. |
| Q: What is the InChIKey of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: InChIKey of 3-Amino-3-(4-cyanophenyl)propanoic acid is JFPLLJRLBHIJPS-UHFFFAOYSA-N. |
| Q: What is the boiling point of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: Boiling point of 3-Amino-3-(4-cyanophenyl)propanoic acid is 395.4±37.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: SMILES notation of 3-Amino-3-(4-cyanophenyl)propanoic acid is N#Cc1ccc(C(N)CC(=O)O)cc1. |
| Q: What is the molecular formula of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: Molecular formula of 3-Amino-3-(4-cyanophenyl)propanoic acid is C10H10N2O2. |
| Q: What is the LogP of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: LogP of 3-Amino-3-(4-cyanophenyl)propanoic acid is 0.35. |
| Q: What are the upstream materials of 3-Amino-3-(4-cyanophenyl)propanoic acid? |
| A: Related upstream materials(CAS) of 3-Amino-3-(4-cyanophenyl)propanoic acid: 141-82-2;105-07-7. |
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. |