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61-54-1 molecular structure
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2-(1H-indol-3-yl)ethan-1-amine

ChemBase ID: 6256
Molecular Formular: C10H12N2
Molecular Mass: 160.21568
Monoisotopic Mass: 160.10004839
SMILES and InChIs

SMILES:
NCCc1c[nH]c2c1cccc2
Canonical SMILES:
NCCc1c[nH]c2c1cccc2
InChI:
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey:
APJYDQYYACXCRM-UHFFFAOYSA-N

Cite this record

CBID:6256 http://www.chembase.cn/molecule-6256.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-indol-3-yl)ethan-1-amine
IUPAC Traditional name
tryptamine
Synonyms
2-(1H-INDOL-3-YL)ETHANAMINE
1H-Indole-3-ethanamine
2-(1H-Indol-3-yl)ethan-1-amine
2-(1H-Indol-3-yl)ethanamine
3-(2-Aminoethyl)-1H-indole
3-Indoleethanamine
3-Indoleethylamine
NSC 165212
Tryptamin
β-(3-Indolyl)ethylamine
Tryptamine
2-(1H-Indol-3-yl)ethylamine
3-(2-Aminoethyl)-1H-indole
2-(1H-Indol-3-yl)-ethylamine
3-(2-Aminoethyl)Indole
2-(3-Indolyl)Ethylamine
TRYPTAMINE FREE BASE
Tryptamine
Tryptamine
β-吲哚基乙胺
3-(2-氨乙基)吲哚
色胺
CAS Number
61-54-1
EC Number
200-510-5
MDL Number
MFCD00005661
Beilstein Number
125513
Merck Index
149796
PubChem SID
160969681
24851608
99445124
PubChem CID
1150
CHEMBL
6640
IUPHAR ligand ID
125
Wikipedia Title
Tryptamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 17.170311  H Acceptors
H Donor LogD (pH = 5.5) -1.5201834 
LogD (pH = 7.4) -0.7703921  Log P 1.4864374 
Molar Refractivity 50.3729 cm3 Polarizability 20.77308 Å3
Polar Surface Area 41.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.21  LOG S -2.08 
Solubility (Water) 1.34e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Ethanol expand Show data source
Apperance
white crystalline expand Show data source
White to Orange Solid expand Show data source
Melting Point
111-116°C expand Show data source
113-116 °C expand Show data source
113-116 °C(lit.) expand Show data source
113-116°C expand Show data source
113-117°C expand Show data source
115-118 °C expand Show data source
118 expand Show data source
Boiling Point
137 °C/0.15 mmHg(lit.) expand Show data source
137°C @ 0.15 mm expand Show data source
137°C/1.5mm expand Show data source
137°C/0.15mm expand Show data source
Flash Point
185 °C expand Show data source
185°C expand Show data source
185°C(365°F) expand Show data source
365 °F expand Show data source
Storage Condition
0°C expand Show data source
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive/Keep Cold/Store under Argon expand Show data source
RTECS
NL4020000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Gene Information
human ... CYP1A2(1544) expand Show data source
Purity
≥99% expand Show data source
≥98.0% (NT) expand Show data source
≥99% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Empirical Formula (Hill Notation)
C10H12N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02190279 external link
Free Base
(3-[2-Aminoethyl]indole)
White crystals
Purity: 99+%
DrugBank - DB08653 external link
Drug information: experimental
Sigma Aldrich - T2891 external link
包装
10 mg in autosmp vl
Biochem/physiol Actions
具有血管活性;可能具有神经调质功能;由色氨酸经 L-芳香氨基酸脱羧酶作用进行脱羧而形成的生物胺。
Sigma Aldrich - 193747 external link
Packaging
10, 50 g in glass bottle
Biochem/physiol Actions
Vasoactive; may have a neuromodulator function; biogenic amine formed from the decarboxylation of tryptophan by L-aromatic amino acid decarboxylase.
Sigma Aldrich - 93639 external link
Biochem/physiol Actions
Vasoactive; may have a neuromodulator function; biogenic amine formed from the decarboxylation of tryptophan by L-aromatic amino acid decarboxylase.
Sigma Aldrich - 93640 external link
Biochem/physiol Actions
Vasoactive; may have a neuromodulator function; biogenic amine formed from the decarboxylation of tryptophan by L-aromatic amino acid decarboxylase.
Toronto Research Chemicals - T894600 external link
Tryptamine is a monoamine alkaloid found in plants. Tryptamine is commonly used in the preparation of biologically active compounds such as neurotransmitters and psychedelics.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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