Acetryptine , CAS No.3551-18-6

CAS: 3551-18-6 Cat. No.: A667868 Fórmula: C12H14N2O Peso molecular: 202.25 PubChem CID: 20810
Disponível para encomenda
Synonyms
Acetryptine|Acetryptine [INN]|3-(2-Aminoethyl)indol-5-yl methyl ketone|1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone|Acetriptina|Acetryptin|Acetryptinum|1-(3-(2-aminoethyl)-1H-indol-5-yl)ethanone|Acetryptinum [INN-Latin]|Acetriptina [INN-Spanish]|5-acetyltryptamine|5-acetyl-1H-indole-3-ethanamine|1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone
Storage
Room temperature
★
Tamanho
USA
Alemanha (EU)*
Preço
Qtd
1mg
A667868-1mg
Sob encomenda · 8–12 semanas

571,90US$

857,90US$
Gravar 286,00 US$ (33.34%)
5mg
A667868-5mg
Sob encomenda · 8–12 semanas

1999,90US$

2999,90US$
Gravar 1 000,00 US$ (33.33%)
Enter a quantity for the sizes you want to add.

Especificações

Sinónimos
Acetryptine | Acetryptine [INN] | 3-(2-Aminoethyl)indol-5-yl methyl ketone | 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone | Acetriptina | Acetryptin | Acetryptinum | 1-(3-(2-aminoethyl)-1H-indol-5-yl)ethanone | Acetryptinum [INN-Latin] | Acetriptina [INN-Spanish] | 5-acetyltryptamine | 5-acetyl-1H-indole-3-ethanamine | 1-[3-(2-Amino-ethyl)- Show more
Condições de armazenamento de armazenamento
Room temperature
Propriedades do produto
ALogP
0.2
Nomes e identificadores
Sorrisos canónicos
CC(=O)C1=CC2=C(C=C1)NC=C2CCN
IUPAC Name
1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone
InChIKey
RAUGYAOLAMRLLZ-UHFFFAOYSA-N
INCHI
1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
SMILES isoméricas
CC(=O)C1=CC2=C(C=C1)NC=C2CCN
PubChem CID
20810
Peso molecular
202.25

Dados avançados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIndoles and derivatives
SubclassTryptamines and derivatives
Intermediate Tree Nodes Not available
Direct ParentTryptamines and derivatives
Alternative Parents 3-alkylindoles  Acetophenones  Aryl alkyl ketones  2-arylethylamines  Aralkylamines  Substituted pyrroles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tryptamine - 3-alkylindole - Acetophenone - Indole - 2-arylethylamine - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
HTR1B Tclin 5-hydroxytryptamine receptor 1B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1D Tclin 5-hydroxytryptamine receptor 1D (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular202.250 g/mol
XLogP30.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass202.111 Da
Monoisotopic Mass202.111 Da
Topological Polar Surface Area58.900 Ų
Heavy Atom Count15
Formal Charge0
Complexity242.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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