Methyl4-(aminomethyl)benzoatehydrochloride
Methyl4-(aminomethyl)benzoatehydrochloride structure
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Common Name | Methyl4-(aminomethyl)benzoatehydrochloride | ||
|---|---|---|---|---|
| CAS Number | 6232-11-7 | Molecular Weight | 201.650 | |
| Density | 1.45 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C9H12ClNO2 | Melting Point | 243ºC | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 4-(aminomethyl)benzoate hydrochloride |
|---|---|
| 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 | 1.45 g/cm3 |
|---|---|
| Melting Point | 243ºC |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.650 |
| Exact Mass | 201.055649 |
| PSA | 52.32000 |
| LogP | 2.43420 |
| Appearance of Characters | Crystalline Powder | White |
| InChIKey | GIZCKBSSWNIUMZ-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(CN)cc1.Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2922499990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
Methyl4-(aminom... CAS#:6232-11-7 |
| Literature: KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; BIORUNX; HEO, Jung Nyoung; KIM, Bum Tae; LEE, Hyuk; CHANG, Sung Youn; LEE, Zang Hee; KIM, Seong Hwan; RYOO, Hyun-Mo Patent: WO2010/131922 A2, 2010 ; Location in patent: Page/Page column 28 ; |
|
~98%
Methyl4-(aminom... CAS#:6232-11-7 |
| Literature: Kohsaka, Yasuhiro; Nakazono, Kazuko; Koyama, Yasuhito; Asai, Shigeo; Takata, Toshikazu Angewandte Chemie - International Edition, 2011 , vol. 50, # 21 p. 4872 - 4875 |
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~66%
Methyl4-(aminom... CAS#:6232-11-7 |
| Literature: Tamura; Matsushita; Iwama; Harada; Kishimoto; Itoh Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 5 p. 1199 - 1212 |
|
~%
Methyl4-(aminom... CAS#:6232-11-7 |
| Literature: Chemical and Pharmaceutical Bulletin, , vol. 39, # 5 p. 1199 - 1212 |
![4-[(tert-Butoxycarbonylamino)methyl]benzoic acid structure](https://image.chemsrc.com/caspic/208/33233-67-9.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
CAS#:39895-56-2![4-[(naphthalene-2-carbonylamino)methyl]benzoic acid structure](https://image.chemsrc.com/caspic/191/208175-66-0.png)
CAS#:208175-66-0
CAS#:1007859-08-6
CAS#:35009-16-6
CAS#:123986-64-1
CAS#:736080-30-1![methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate structure](https://image.chemsrc.com/caspic/194/905818-73-7.png)
CAS#:905818-73-7![methyl 4-[[(4-fluorophenyl)methylamino]methyl]benzoate structure](https://image.chemsrc.com/caspic/109/918402-06-9.png)
CAS#:918402-06-9![3-[1-(3,5-didodecoxyphenyl)-1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]ethoxy]-3-oxopropanoate structure](https://image.chemsrc.com/caspic/386/547770-52-5.png)
CAS#:547770-52-5This 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 lists relevant public references with title, journal and publication metadata for this compound.
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A convenient synthesis of amino acid methyl esters.
Molecules 13(5) , 1111-9, (2008) A series of amino acid methyl ester hydrochlorides were prepared in good to excellent yields by the room temperature reaction of amino acids with methanol in the presence of trimethylchlorosilane. Thi... |
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Selective histone deacetylase 6 inhibitors bearing substituted urea linkers inhibit melanoma cell growth.
J. Med. Chem. 55(22) , 9891-9, (2012) The incidence of malignant melanoma has dramatically increased in recent years thus requiring the need for improved therapeutic strategies. In our efforts to design selective histone deactylase inhibi... |
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Discovery of a novel HCV helicase inhibitor by a de novo drug design approach.
Bioorg. Med. Chem. Lett. 19(11) , 2935-7, (2009) Herein we report a successful application of a computer-aided design approach to identify a novel HCV helicase inhibitor. A de novo drug design methodology was used to generate an initial set of struc... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(Aminomethyl)benzoate monohydrochloride |
| Benzoic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1) |
| MFCD00182671 |
| 4-(Aminomethyl)benzoic acid methyl ester HCl |
| Benzoic acid,4-(aminomethyl)-,methyl ester,hydrochloride (1:1) |
| Methyl4-(aminomethyl)benzoateHCl |
| Methyl4-(aminomethyl)benzoatehydrochloride |
| 4-(AMINOMETHYL)BENZOIC ACID METHYL ESTER HYDROCHLORIDE |
| 4-(carboxylic acid methyl ester)benzylamine hydrochloride |
| methyl-4-(amino methyl)benzoate hydrochloride |
| 4-METHOXYCARBONYL-BENZYLAMINE HYDROCHLORIDE |
| Methyl 4-(aminomethyl)benzoate hydrochloride (1:1) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: Related upstream materials(CAS) of methyl 4-(aminomethyl)benzoate hydrochloride: 67-56-1;56-91-7;120157-96-2;33233-67-9. |
| Q: What is the English name of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: The English name of methyl 4-(aminomethyl)benzoate hydrochloride is methyl 4-(aminomethyl)benzoate hydrochloride. |
| Q: What is the polar surface area (PSA) of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: Polar surface area (PSA) of methyl 4-(aminomethyl)benzoate hydrochloride is 52.32000. |
| Q: What is the molecular weight of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: Molecular weight of methyl 4-(aminomethyl)benzoate hydrochloride is 201.650. |
| Q: What is the LogP of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: LogP of methyl 4-(aminomethyl)benzoate hydrochloride is 2.43420. |
| Q: What is the InChIKey of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: InChIKey of methyl 4-(aminomethyl)benzoate hydrochloride is GIZCKBSSWNIUMZ-UHFFFAOYSA-N. |
| Q: What are the downstream products of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: Related downstream products(CAS) of methyl 4-(aminomethyl)benzoate hydrochloride: 39895-56-2;208175-66-0;1007859-08-6;35009-16-6;123986-64-1;120157-96-2;736080-30-1;905818-73-7;918402-06-9;547770-52-5. |
| Q: What is the safety information for methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: Safety information for methyl 4-(aminomethyl)benzoate hydrochloride: 26. |
| Q: What is the physical appearance of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: methyl 4-(aminomethyl)benzoate hydrochloride appears as Crystalline Powder | White. |
| Q: What is the CAS number of methyl 4-(aminomethyl)benzoate hydrochloride? |
| A: CAS number of methyl 4-(aminomethyl)benzoate hydrochloride is 6232-11-7. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |