Basic information
- CAS
5192-23-4- Standard SMILES
Nc1cccc2[nH]ccc12- InChIKey
LUNUNJFSHKSXGQ-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 4-Aminoindole
- IUPAC
- 1H-indol-4-amine
- English name
- 4-Aminoindole
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
4-Aminoindole5192-23-4DTXSID50342629RefChem:518239DTXCID10293709621-202-01H-Indol-4-amine1H-Indol-4-ylamineMFCD010765594-aminoindolindol-4-ylamine4-amino-1H-indol
Show more names
4-INDOLAMINE4-AiminoindoleINDOLE-4-AMINE4-AMinoindole 97%(Indol-4-yl)amine4-Aminoindole >4-Aminoindole ,97%
4-amino-1h-indole1H-indol-4-yl-amineSCHEMBL113992indole-4-ylamineGEO-00149AKOS005206886A35742P-050
Database identifiers
- CAS
5192-23-4- PubChem CID
- 583431
- DTXSID
DTXSID50342629- ChEBI
CHEBI:183733- EC Number
- 621-202-0
- Nikkaji
- J80.973J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 106 · 106-109 °C (lit.)
- Boiling point
- 354 · 354.0±15.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 18.23 · 18.23±0.30(Predicted)
- form
- powder to crystal
- color
- White to Gray to Brown
- Water Solubility
- Insoluble
- Sensitive
- Air Sensitive
- BRN
- 114919 · 114919
- InChI
- InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
- InChIKey
- LUNUNJFSHKSXGQ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C(N)=CC=C2)C=C1
- CAS DataBase Reference
- 5192 · 5192-23-4(CAS DataBase Reference)
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-34
- HazardClass
- AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
- HS Code
- 29339990 · 29339990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (18.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Safety data
- F
- 8-10-34
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
- 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
UsesReactant for preparation of:• ;Inhibitors of bacterial thymidylate synthase1• ;Mimetics of non-alkaloid toxin lignan anticancer and antiviral agent Podophyllotoxin (PPT)2• ;Inhibitors of Gli1-mediated transcription in the Hedgehog pathway3• ;Protein kinase C θ (PKCθ) inhibitors4• ;Indolic non-peptidic HIV protease inhibitors5• ;Transient receptor potential cation channel subfamily V member 1 (TRPV1) antagonists6• ;Cyclooxygenase-2 (COX-2) and lipoxygenase (LOX) inhibitors7• ;11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) inhibi
Uses4-Aminoindole may be used to synthesize:macrolactam tumour promoter indolactam Vtricyclic structure of 2-substituted-pyrrolo[2,3-h]quinolin-4-one4-azidoindole
General Description4-Aminoindole is an indole derivative. Its cytokinin activity has been assessed by tobacco pith callus bioassay. 4-Aminoindole can be prepared by reacting 2,6-dinitrotoluene and N,N-dimethylformamide dimethylacetal in anhydrous DMF.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Bridge Organics+1269-649-4200 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
杭州鼎欣生物科技有限公司0571-88194596 15558156576 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
常州琬瑶生物科技有限公司0519-89185693 15312551983 · [email protected]
苏州盖德精细材料有限公司0512-66627360 13914021065 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
上海思域化工科技有限公司86-21-34053660 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
苏州爱斯鹏药物研发有限责任公司+86-512-86881668
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [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]
上海石洋化工有限公司021-56795766 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
天津安浩生物科技有限公司[email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
Additional notes
DefinitionChEBI: 4-Aminoindole is a member of indoles.
Related reactions
85 records
Compound notes
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