methyl 3-(aminomethyl)benzoate
methyl 3-(aminomethyl)benzoate structure
|
Common Name | methyl 3-(aminomethyl)benzoate | ||
|---|---|---|---|---|
| CAS Number | 93071-65-9 | Molecular Weight | 165.18900 | |
| Density | 1.121 | Boiling Point | 280ºC | |
| Molecular Formula | C9H11NO2 | Melting Point | 37-39ºC | |
| MSDS | N/A | Flash Point | 139ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-(aminomethyl)benzoate |
|---|---|
| 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 | 1.121 |
|---|---|
| Boiling Point | 280ºC |
| Melting Point | 37-39ºC |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.18900 |
| Flash Point | 139ºC |
| Exact Mass | 165.07900 |
| PSA | 52.32000 |
| LogP | 1.63220 |
| InChIKey | OWBKDJSKHXGOJY-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cccc(CN)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922499990 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 3 | |
![3-[(9H-fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoic acid methyl ester Structure](https://image.chemsrc.com/caspic/428/863703-13-3.png)
CAS#:863703-13-3
CAS#:1129-28-8
CAS#:180863-55-2
CAS#:180863-54-1
CAS#:13531-48-1![Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoate Structure](https://image.chemsrc.com/caspic/052/781632-38-0.png)
CAS#:781632-38-0
CAS#:67-56-1
CAS#:2393-20-6
CAS#:1877-72-1
CAS#:876-03-9
CAS#:52178-50-4
CAS#:448948-73-0This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Un-competitive inhibition of metallo-beta-lactamase IMP-1 expressed in Escherichia co...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1780990
|
|
Name: Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as ...
Source: ChEMBL
Target: Lysyl oxidase homolog 2
External Id: CHEMBL3997541
|
|
Name: Competitive inhibition of metallo-beta-lactamase IMP-1 expressed in Escherichia coli ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1781100
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-methoxycarbonyl benzylamine |
| 3-CARBOMETHOXYBENZYLAMINE |
| methyl 3-aminomethyl-benzoate |
| 3-aminomethylbenzoic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of methyl 3-(aminomethyl)benzoate? |
| A: Boiling point of methyl 3-(aminomethyl)benzoate is 280ºC. |
| Q: What is the SMILES notation of methyl 3-(aminomethyl)benzoate? |
| A: SMILES notation of methyl 3-(aminomethyl)benzoate is COC(=O)c1cccc(CN)c1. |
| Q: What are the upstream materials of methyl 3-(aminomethyl)benzoate? |
| A: Related upstream materials(CAS) of methyl 3-(aminomethyl)benzoate: 863703-13-3;1129-28-8;180863-55-2;180863-54-1;13531-48-1;781632-38-0;67-56-1;2393-20-6;1877-72-1;876-03-9. |
| Q: What is the InChIKey of methyl 3-(aminomethyl)benzoate? |
| A: InChIKey of methyl 3-(aminomethyl)benzoate is OWBKDJSKHXGOJY-UHFFFAOYSA-N. |
| Q: What is the LogP of methyl 3-(aminomethyl)benzoate? |
| A: LogP of methyl 3-(aminomethyl)benzoate is 1.63220. |
| Q: What is the CAS number of methyl 3-(aminomethyl)benzoate? |
| A: CAS number of methyl 3-(aminomethyl)benzoate is 93071-65-9. |
| Q: What is the melting point of methyl 3-(aminomethyl)benzoate? |
| A: Melting point of methyl 3-(aminomethyl)benzoate is 37-39ºC. |
| Q: What is the molecular formula of methyl 3-(aminomethyl)benzoate? |
| A: Molecular formula of methyl 3-(aminomethyl)benzoate is C9H11NO2. |
| Q: What is the molecular weight of methyl 3-(aminomethyl)benzoate? |
| A: Molecular weight of methyl 3-(aminomethyl)benzoate is 165.18900. |
| Q: What English synonyms does methyl 3-(aminomethyl)benzoate have? |
| A: English synonyms of methyl 3-(aminomethyl)benzoate: 3-methoxycarbonyl benzylamine, 3-CARBOMETHOXYBENZYLAMINE, methyl 3-aminomethyl-benzoate, 3-aminomethylbenzoic acid methyl ester. |
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. |