N-Methyl-1H-indole-3-methanamine

HCID 96388

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Basic information

CAS: 36284-95-4
Standard SMILES: CNCc1c[nH]c2ccccc12
InChIKey: BIFJNBXQXNWYOL-UHFFFAOYSA-N
Molecular formula: C10H12N2
Average molar mass: 160.22 g/mol
Monoisotopic mass: 160.10004838

Overview

3-(methylaminomethyl)indole is an aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3. It has a role as a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a secondary amino compound.

Names & identifiers

Preferred name: N-Methyl-1H-indole-3-methanamine
IUPAC: 1-(1H-indol-3-yl)-N-methylmethanamine
English name: 1H-Indole-3-methanamine, N-methyl-
Molecular formula: C10H12N2
Molecular weight: 160.22

Names & synonyms

36284-95-41-(1H-indol-3-yl)-N-methylmethanamineN-Methyl-3-aminomethylindoleNMAMI1H-Indole-3-methanamine, N-methyl-HM87YT7IUSDTXSID20189826N-METHYL-1H-INDOLE-3-METHANAMINERefChem:854729DTXCID80112317N-NorgramineN-METHYL-N-[(1H-INDOL-3-YL)METHYL]AMINE

Show more names

1,4-Pentanediamine,N4-(6-methoxy-12-quinolinyl)-N-Methyl-N-[(1H-Indol-3-Yl)Methyl]Amine(WX609064)N-(1H-indol-3-ylmethyl)-N-methylamine hydrochloride2-Piperidinecarboxylicacid,methylester,(2R)-,hydrochloride(1:5)

N-Methyl-N-[1H-indol-3-yl)methyl]amine[(1H-indol-3-yl)methyl](methyl)amine3-(methylaminomethyl)indoleMFCD03011586N-methyl-N-(indol-3-ylmethyl)amine(Indol-3-ylmethyl)methylamineCHEBI:137310(indol-3-yl)-N-methylmethanamine

Database identifiers

CAS: 36284-95-4
PubChem CID: 96388
DTXSID: DTXSID20189826
ChEBI: CHEBI:137310
UNII: HM87YT7IUS
EC Number: 975-475-9
Nikkaji: J580.088I

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 27.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Physicochemical properties

Boiling point: 311.7 · 311.7±17.0 °C(Predicted)
Density: 1.116 · 1.116±0.06 g/cm3(Predicted)
pka: 17.34 · 17.34±0.30(Predicted)
FDA UNII: 87 YT7IUS · HM87YT7IUS
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Suppliers17 total

云南苏理生物医药科技有限公司0871-68355600 18787766125

武汉布林科技有限公司3456065315 13260619011 · [email protected]

河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 3-(methylaminomethyl)indole is an aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3. It has a role as a plant metabolite. It is an aminoalkylindole, a secondary amino compound and an indole alkaloid.