Basic information
- CAS
36052-24-1- Standard SMILES
COC(=O)c1ccc(N)nc1- InChIKey
JACPDLJUQLKABC-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
structure in first source
Names & identifiers
- Preferred name
- Methyl 6-aminonicotinate
- IUPAC
- methyl 6-aminopyridine-3-carboxylate
- English name
- Methyl 6-aminonicotinate
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
methyl 6-aminonicotinate36052-24-16-Aminopyridine-3-carboxylic Acid Methyl Ester3-PYRIDINECARBOXYLIC ACID, 6-AMINO-, METHYL ESTER4U4Y6O9W87DTXSID60353246RefChem:157716DTXCID103043096-Aminonicotinic acid methyl esterMethyl 6-aminopyridine-3-carboxylateMFCD00797844METHYL6-AMINONICOTINATE
Show more names
6-Aminonicotinic6-aMinopyridine-3-caMethyl 6-aminonicotitemethyl 6-aminonicotinoateMethyl6-Aminonicotinate>Methyl 6-aminonicotinate 97%3-AMINONICOTINIC ACID METHYL ESER6-Aminonicotinic Acid Methyl Ether
Methy 6-aminonicotinate2-Amino-5-(methoxycarbonyl)pyridineMethyl 2-amino-5-pyridinecarboxylatemethyl 6-amino-pyridine-3-carboxylateSMR000335157METHYL 2-AMINOPYRIDINE-5-CARBOXYLATEmethyl-6-aminonicotinate6-amino-nicotinic acid methyl ester
Database identifiers
- CAS
36052-24-1- PubChem CID
- 737487
- DTXSID
DTXSID60353246- ChEMBL
CHEMBL1864652- UNII
- 4U4Y6O9W87
- EC Number
- 629-051-2
- Nikkaji
- J1.164.672G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Solubility>22.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 158 · 158-162 °C (lit.)
- Boiling point
- 304.5 · 304.5±22.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 4.78 · 4.78±0.13(Predicted)
- form
- Powder
- color
- White to light yellow-beige or pink
- InChI
- InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9)
- InChIKey
- JACPDLJUQLKABC-UHFFFAOYSA-N
- SMILES
- C1=NC(N)=CC=C1C(OC)=O
- CAS DataBase Reference
- 36052 · 36052-24-1(CAS DataBase Reference)
- FDA UNII
- 4 U4Y6O9W87 · 4U4Y6O9W87
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 6-aminonicotinate can be used in ointments for treatment of psoriasis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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郑州药领医药科技有限公司13526569071 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [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]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
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上海易全化学有限公司021-64196659 13564486206 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京顺象医药科技有限公司025-86819868 13951004015
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
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江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
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]
Related reactions
206 records
Compound notes
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