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7-Methyltryptamine

7-Methyltryptamine structure

CAS No:
14490-05-2
Formula:
C11H14N2
Chemical Name:
7-Methyltryptamine
Synonyms:
1H-Indole-3-ethanamine,7-methyl-;Indole,3-(2-aminoethyl)-7-methyl-;7-Methyl-1H-indole-3-ethanamine;7-Methyltryptamine;NSC 91540;7-Methyl-3-indoleethanamine;2-(7-Methyl-1H-indol-3-yl)ethanamine;2-(7-Methyl-1H-indol-3-yl)ethan-1-amine
Categories:
Organic Chemistry > Amides

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7-Methyltryptamine Basic Attributes

Molecular Weight：

174.24

Exact Mass：

174.24

EC Number：

238-498-9

NSC Number：

91540

DSSTox ID：

DTXSID70162841

Characteristics

PSA：

41.8 Å²

Density：

1.126±0.06 g/cm3

Melting Point：

123-130 °C

Boiling Point：

150-220 °C @ Press: 0.03 Torr

PKA：

17.51±0.30

Safety Information

Hazard category：

IRRITANT

wgk germany：

RTECS Number：

NL4300000

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

7-methyltryptamine

7-Methyltryptamine Use and Manufacturing

Reactant for preparation of β-carbolines via diastereo- and enantioselective Bronsted acid catalyzed N-acyliminium cyclization cascades 1 Reactant for preparation of substituted tetrahydro-β-carbolines as potential agents for treatment of human papillomavirus infection (HPV) 2 Reactant for asymmetric synthesis of nitrogen heterocycles via Bronsted acid-catalyzed N-acyliminium cyclization cascade 3 Reactant for amidation reactions 4 Reactant for preparation of potent β3-adrenergic receptor agonists 5 Reactant for preparation of tryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase 6

Computed Properties

Molecular Weight:174.24
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:174.115698455
Monoisotopic Mass:174.115698455
Topological Polar Surface Area:41.8
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes