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Tryptamine

Tryptamine structure

CAS No:
61-54-1
Formula:
C10H12N2
Chemical Name:
Tryptamine
Synonyms:
1H-Indole-3-ethanamine;Indole,3-(2-aminoethyl)-;3-(2-Aminoethyl)indole;2-(3-Indolyl)ethylamine;Tryptamine;Tryptamin;β-(3-Indolyl)ethylamine;3-Indoleethylamine;2-(1H-Indol-3-yl)ethylamine;2-(1H-Indol-3-yl)ethanamine;NSC 165212;3-Indoleethanamine;3-(2-Aminoethyl)-1H-indole;2-(1H-Indol-3-yl)ethan-1-amine
Categories:
Analytical Chemistry > Standard

Description

Tryptamine is a monoamine alkaloid, similar to other trace amines, is believed to play a role as a neuromodulator or neurotransmitter.

Tryptamine is a monoamine alkaloid. It contains an indole ring structure, and is structurally similar to the amino acid tryptophan, from which the name derives. Tryptamine is found in trace amounts in the brains of mammals and is hypothesized to play a role as a neuromodulator or neurotransmitter.

Solid

Tryptamine is an aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. It has a role as a human metabolite, a plant metabolite and a mouse metabolite. It is an aminoalkylindole, an indole alkaloid, an aralkylamino compound and a member of tryptamines. It is a conjugate base of a tryptaminium.

Tryptamine Basic Attributes

Molecular Weight：

160.22

Exact Mass：

160.22

BRN：

125513

EC Number：

200-510-5

UNII：

422ZU9N5TV

DSSTox ID：

DTXSID2075340

HScode：

28259080

Characteristics

PSA：

41.8

XLogP3：

1.55

Appearance：

white crystalline

Density：

1.2±0.1 g/cm3

Melting Point：

118 °C

Boiling Point：

137 °C @ Press: 0.15 Torr

Flash Point：

185 °C

Refractive Index：

1.669

Water Solubility：

H2O: negligible soluble

Storage Conditions：

2-8°C

Toxicity：

Peritoneal-rat LD50: 223.2 mg/kg; peritoneal-mouse LD50: 100 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Collision Cross Section：

125.1 Å² [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|131.55 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|128.42 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|124.4 Å² [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]|127.6 Å² [M+H]+

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38-41-37/38-22

safety instructions：

24/25-36/37/39-36-26

RTECS Number：

NL4020000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - rat	223 mg/kg	Details of toxic effects not reported other than lethal dose value--	Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 66,1692,1977
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	100 mg/kg	Details of toxic effects not reported other than lethal dose value--	European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,453,1974
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Subcutaneous	Rodent - mouse	500 mg/kg	Behavioral--somnolence (general depressed activity)	Dissertationes Pharmaceuticae et Pharmacologicae. (Warsaw, Poland) V.18-24, 1966-72. For publisher information, see PJPPAA. Volume(issue)/page/year: 22,313,1970

Drug Information

MeSH Entry Terms：

3-(2-aminoethyl)indole

Tryptamine Use and Manufacturing

psychotropic

Computed Properties

Molecular Weight:160.22
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:160.100048391
Monoisotopic Mass:160.100048391
Topological Polar Surface Area:41.8
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

152071-32-4

61-54-1

212707-60-3

61-54-1

61-54-1

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