Indol-3-ylmethyldimethylamin

Gramine

HCID 6890CAS 87-52-5
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Grundinformationen

Standard-SMILES
CN(C)Cc1c[nH]c2ccccc12
InChIKey
OCDGBSUVYYVKQZ-UHFFFAOYSA-N
Summenformel
C11H14N2
Durchschnittliche Molmasse
174,24 g/mol
Monoisotopische Masse
174,11569845

Überblick

Gramine is an aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. It has a role as an antiviral agent, an antibacterial agent, a serotonergic antagonist and a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a tertiary amino compound. It is a conjugate base of a gramine(1+).

Namen und Bezeichner

Bevorzugter Name
Gramine
IUPAC
1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Lokaler Name
Indol-3-ylmethyldimethylamin
Englischer Name
Gramine
Summenformel
C11H14N2
Molmasse
174.24

Namen und Synonyme

Gramine87-52-53-(Dimethylaminomethyl)indoleDonaxineDonaxinGramin1-(1H-indol-3-yl)-N,N-dimethylmethanamine1H-Indole-3-methanamine, N,N-dimethyl-beta-DimethylaminomethylindoleN,N-Dimethyl-1H-indole-3-methanamine3-(N,N-Dimethylaminomethyl)indole(1H-indol-3-ylmethyl)dimethylamine
Weitere Namen anzeigen
DoranineNSC 16892GRAMINE(RG)Gramine >Gramine,>99%
3-[(Dimethylamino)methyl]indoleN,N-Dimethyl-1H-indole-3-methylamineFGQ8A78L14DTXSID3058955NSC-16892CHEBI:289483-((DIMETHYLAMINO)METHYL)INDOLE3-[Dimethylaminomethyl]indole

Datenbank-Bezeichner

CAS
87-52-5
PubChem CID
6890
DTXSID
DTXSID3058955
ChEMBL
CHEMBL254348
ChEBI
CHEBI:28948
UNII
FGQ8A78L14
EC Number
201-749-8
Nikkaji
J10.618F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
19 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Melting Point138 - 139 °C
Physical DescriptionSolid
Collision Cross Section · 2 Einträge

138.42 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

134.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
132 · 132-134 °C (lit.)
Siedepunkt
295.23 °C · 295.23°C (rough estimate)
Dichte
1.0715 · 1.0715 (rough estimate)
Brechungsindex
1.55 · 1.5500 (estimate)
Flammpunkt
167 °C · 167 °C
storage temp.
Refrigerator (+4°C)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (93.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1H-Indole-3-methanamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (93.8%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29339900
RTECS-Nr.
NL7525000
risk_code
34
hazard_code
C

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

General Manufacturing Information1H-Indole-3-methanamine, N,N-dimethyl-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenReactant for preparation of:Dopamine D2 receptor antagonistsAnti-malarial drugs5-indolyl-Mannich basesProliferation inhibitorsInhibitors of human mast cell chymasePreparation of DL-tryptophanPotential detoxification inhibitors of the crucifer phytoalexin brassinin3-vinylindolesSerotonin 5-HT6 receptor ligand templatesSelective protein kinase c delta (PKCδ) down regulators

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

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