(1-methyl-1H-indol-5-yl)methylamine

HCID 18525752CAS 884507-17-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1ccc2cc(CN)ccc21
InChIKey: XYCZKICJSDSNOW-UHFFFAOYSA-N
Molecular formula: C10H12N2
Average molar mass: 160.22 g/mol
Monoisotopic mass: 160.10004838

Overview

(1-Methyl-1H-indol-5-yl)methylamine is a member of indoles.

Names & identifiers

Preferred name: (1-methyl-1H-indol-5-yl)methylamine
IUPAC: (1-methylindol-5-yl)methanamine
English name: (1-Methyl-1H-indol-5-yl)methylamine
Molecular formula: C10H12N2
Molecular weight: 160.22

Names & synonyms

(1-methyl-1H-indol-5-yl)methylamineRefChem:392320855-743-0(1-Methyl-1H-indol-5-yl)methanamine884507-17-9(1-methylindol-5-yl)methanamineMFCD090258391-Methylindole-5-methanamineSCHEMBL110146CHEBI:194964DTXSID805945131-(1-methyl-1H-indol-5-yl)methanamine acetate

Show more names

(1-Methyl-1H-indol-5-yl)5-Aminomethyl-1-methylindole1H-Indole-5-methanamine, 1-methyl-(1-methyl-1H-indole-5-yl)methylamine(1-methyl-1H-indol-5-yl)methanamine acetate[(1-Methyl-1H-indol-5-yl)methyl]amine acetate

AKOS006282775SB76221orb3177781(1-methylindol-5-yl)methylamineALBB-016195SBB0874541-(1-Methyl-1H-indol-5-yl)methanamineDS-15625

Database identifiers

CAS: 884507-17-9
PubChem CID: 18525752
DTXSID: DTXSID80594513
ChEBI: CHEBI:194964
EC Number: 855-743-0

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 31 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 55 °C · 55 °C
Boiling point: 319.4 · 319.4±17.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 9.27 · 9.27±0.40(Predicted)
Appearance: Off-white to yellow Solid
InChI: 1S/C10H12N2/c1-12-5-4-9-6-8(7-11)2-3-10(9)12/h2-6H,7,11H2,1H3
InChIKey: XYCZKICJSDSNOW-UHFFFAOYSA-N
SMILES: Cn1ccc2cc(CN)ccc12
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Risk Statements: 22 · 22-34
Safety Statements: 22 · 22-26-36/37/39-45
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
risk_code: 22-34
Signal word: Danger
Symbol(GHS): GHS07,GHS05
safety_code: 22-26-36/37/39-45
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H314-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501