CAS 7570-49-2 5-Amino-2-methylindole (HCID 2733992)

Names & identifiers

Preferred name: 5-Amino-2-methylindole
IUPAC: 2-methyl-1H-indol-5-amine
English name: 5-Amino-2-methylindole
Molecular formula: C9H10N2
Molecular weight: 146.19

Names & synonyms

5-Amino-2-methylindole7570-49-2DTXSID40370072RefChem:300982DTXCID20321108626-158-62-methyl-1H-indol-5-amine1H-Indol-5-amine, 2-methyl-5-Amino-2-methyl-1H-indoleMFCD020934262-methyl-5-aminoindoleCHEMBL3358228

Show more names

2-Methylindol-5-ylamine5-AMINO-2-METHYLINDOL 97%5-Amino-2-methylindole,98%5-Amino-2-methylindole,95%5-Amino-2-methylindole 95%5-Amino-2-methylindole >5-AMino-2-Methyl-1H-indole

2-methylindole-5-ylamine5-Amino2-methylindole2-methylindole-5-amineBIDD:GT0193SCHEMBL3972462-methyl-1H-indol-5-ylamineSCHEMBL6015758SCHEMBL7669990

Database identifiers

CAS: 7570-49-2
PubChem CID: 2733992
DTXSID: DTXSID40370072
ChEMBL: CHEMBL3358228
EC Number: 626-158-6
Nikkaji: J1.744.226K

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 153 · 153-157 °C(lit.)
Boiling point: 255.81 °C · 255.81°C (rough estimate)
Density: 1.0976 · 1.0976 (rough estimate)
refractive index: 1.56 · 1.5600 (estimate)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
pka: 17.97 · 17.97±0.30(Predicted)
form: powder to crystal
color: Red to Dark blue to Black
Sensitive: Stench
InChI: 1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3
InChIKey: JQULCCZIXYRBSE-UHFFFAOYSA-N
SMILES: Cc1cc2cc(N)ccc2[nH]1
CAS DataBase Reference: 7570 · 7570-49-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P270-P301+P310a-P321-P405-P501a
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
WGK Germany: 3 · 3
Hazard Note: Harmful/Stench
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (91.1%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (91.1%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933998090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi
hazard_note: Harmful/Stench
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P270-P301+P310a-P321-P405-P501a

Chemistry & industry

Applications · 2 items

UsesReactant for preparation of:• ;Cytotoxic and antimitotic agents1• ;Potential antimicrobial aminoketones2• ;Inhibitors of monoamine oxidase (MAO)3• ;Protein kinase c theta (PKCθ) inhibitors4• ;Factor Xa inhibitors5• ;Inhibitors of vascular endothelial growth factor type 2 (VEGFR-2)6• ;Demethylasterriquinone B1receptor ligands7

UsesReactant for preparation of:Cytotoxic and antimitotic agentsPotential antimicrobial aminoketonesInhibitors of monoamine oxidase (MAO)Protein kinase c theta (PKCθ) inhibitorsFactor Xa inhibitorsInhibitors of vascular endothelial growth factor type 2 (VEGFR-2)Demethylasterriquinone B1receptor ligands