Basic information
- Standard SMILES
CNc1ccc(C(=O)O)cc1- InChIKey
ZVIDMSBTYRSMAR-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Overview
N-Methyl-4-aminobenzoate is an aminobenzoic acid.
Names & identifiers
- Preferred name
- 4-(Methylamino)benzoic acid
- IUPAC
- 4-(methylamino)benzoic acid
- English name
- 4-(Methylamino)benzoic acid
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
4-(Methylamino)benzoic acid10541-83-0Benzoic acid, 4-(methylamino)-4-Methylaminobenzoic acidN-Methyl-4-aminobenzoic acid4-(N-Methylamino)benzoic acidp-Methylaminobenzoic acidBenzoic acid, p-(methylamino)-ARU98Z0OZYNSC-102506DTXSID8065117RefChem:516328
Show more names
4-MABANSC 1025064-(methylamino)benzoateBenzoic acid Impurity 4Balofloxacin Impurity 2Benzoic acid Impurity 114-(methylamino)-benzoicaciPARA-METHYLAMINOBENZOICACID
DTXCID4032956234-121-7N-Methyl-4-aminobenzoatep-(Methylamino)benzoic acidMFCD00002535p-Carboxy-N-methylanilinep-(N-Methylamino)benzoic acid4-Methylamino-benzoic acid
Database identifiers
- CAS
10541-83-0- PubChem CID
- 66345
- DTXSID
DTXSID8065117- ChEMBL
CHEMBL3098156- ChEBI
CHEBI:7308- UNII
- ARU98Z0OZY
- EC Number
- 234-121-7
- Nikkaji
- J139.221B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 160 · 160-162 °C (lit.)
- Boiling point
- 273.17 °C · 273.17°C (rough estimate)
- Density
- 1.2023 · 1.2023 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Slightly soluble. Soluble in alcohol.
- pka
- 5.04 · 5.04(at 25℃)
- form
- Solid
- color
- Off-White to Dark Beige
- BRN
- 2082805 · 2082805
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
- InChIKey
- ZVIDMSBTYRSMAR-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(NC)C=C1
- CAS DataBase Reference
- 10541 · 10541-83-0(CAS DataBase Reference)
- FDA UNII
- 98 Z0OZY · ARU98Z0OZY
- NIST Chemistry Reference
- 4 · Benzoic acid, 4-(methylamino)-(10541-83-0)
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(methylamino)- (10541-83-0)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi,N
- Risk Statements
- 22 · 22-43-36/37/38-51/53-40
- Safety Statements
- 36 · 36/37-37/39-26-61
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2922290090 · 2922290090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 21-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24568
Hazards SummaryAn eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (10541-83-0[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See p-Aminosalicylic acid.
Hazard Classes and CategoriesAcute Tox. 4 (89.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922290090
- risk_code
- 22-43-36/37/38-51/53-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,N
- safety_code
- 36/37-37/39-26-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(methylamino)-: INACTIVE
Applications
Description4-(Methylamino) benzoic acid is an important intermediate for production of pharmaceutical products, dyes, flavors and preservatives.
Uses4-(Methylamino)benzoic acid important for the preparation of other pharmaceutical products, dyes, flavors, and preservatives. .For the preparation of medicines and other fine chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
江苏开元药业有限公司25-8690-7345 18651693585 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
杭州氟药药业有限公司0571-85586753 13336034509 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Additional notes
DefinitionChEBI: N-Methyl-4-aminobenzoate is an aminobenzoic acid.
Related reactions
25 records
Linked notes
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