Basic information
- CAS
5318-27-4- Standard SMILES
Nc1ccc2cc[nH]c2c1- InChIKey
MIMYTSWNVBMNRH-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 6-Aminoindole
- IUPAC
- 1H-indol-6-amine
- English name
- 6-Aminoindole
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
6-AminoindoleDTXSID30292416RefChem:540351DTXCID20243558627-713-51H-indol-6-amine5318-27-46-Amino-1H-indoleMFCD020939596-amino indole1H-indol-6-ylamine1H-lndol-6-ylamine
Show more names
NSC 823796-IndolamineINDOLE-6-AMINE6-AMINOINDOLINEindolin-6-amineIndol-6-ylamine6-Aminoindole >
6-Aminoindole, 97%NSC82379SCHEMBL94619indole-6-ylamineCL3506NSC-82379STK787118AKOS005206920
Database identifiers
- CAS
5318-27-4- PubChem CID
- 256096
- DTXSID
DTXSID30292416- EC Number
- 627-713-5
- Nikkaji
- J80.996I
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 75 · 75-79 °C
- Boiling point
- 161 · 161-166°C 2mm
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- Flash point
- 161 · 161-166°C/2mm
- storage temp.
- -20 °C · -20°C
- solubility
- soluble in Methanol
- pka
- 18.23 · 18.23±0.30(Predicted)
- form
- Crystalline Powder
- color
- White to brown
- Sensitive
- Air Sensitive
- BRN
- 112190 · 112190
- InChI
- InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
- InChIKey
- MIMYTSWNVBMNRH-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(N)=C2)C=C1
- CAS DataBase Reference
- 5318 · 5318-27-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- IRRITANT-HARMFUL, KEEP COLD
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Harmful
- safety_code
- 26-36
- hazard_class
- IRRITANT-HARMFUL, KEEP COLD
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for preparation of:Inhibitors of mammalian target of rapamycin (mTOR ) proteinInhibitors of the AcrAB-TolC efflux pumpInhibitors of Gli1-mediated transcription in the Hedgehog pathwayPotent DNA-topoisomerase II poisons and anti-MDR agentsProtein kinase C θ (PKCθ) inhibitorsPiperidine carboxamide as transient receptor potential cation channel subfamily V member 1 (TRPV1) antagonistsPotent and selective blockers of the Nav1.8 sodium channel as potential analgesics for the treatment of neuropathic and inflammatory pain5,6-fused heteroaromatic ureas as TRPV1 antagonistsAllosteric enhancers of the A3 adenosine receptorHuman liver glycogen phosphorylase (HLGP) inhibitors for the treatment of type 2 diabetes
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]
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Related reactions
125 records
Compound notes
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