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5-Methoxyindoleacetic acid

5-Methoxyindoleacetic acid structure

CAS No:
3471-31-6
Formula:
C11H11NO3
Chemical Name:
5-Methoxyindoleacetic acid
Synonyms:
1H-Indole-3-acetic acid,5-methoxy-;Indole-3-acetic acid,5-methoxy-;5-Methoxy-1H-indole-3-acetic acid;5-Methoxyindoleacetic acid;5-Methoxy-3-indoleacetic acid;5-Methoxy-3-indolylacetic acid;5-Methyloxyindole-3-acetic acid;Methoxyindoleacetic acid;5-Methoxy-IAA;2-(5-Methoxy-3-indolyl)acetic acid;2-(5-Methoxy-1H-indol-3-yl)acetic acid;(5-Methoxy-1H-indol-3-yl)acetic acid;110885-75-1

Description

OFF-WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER

Solid

5-methoxyindole-3-acetic acid is a member of the class of indole-3-acetic acids in which the hydrogen at position 5 of indole-3-acetic acid has been replaced by a methoxy group. It has a role as a Brassica napus metabolite, a human urinary metabolite, an antibacterial agent, a marine xenobiotic metabolite, a carcinogenic agent and a rat metabolite. It is a member of indole-3-acetic acids and an aromatic ether.

5-Methoxyindoleacetic acid Basic Attributes

Molecular Weight：

205.21

Exact Mass：

205.21

EC Number：

222-438-3

DSSTox ID：

DTXSID70188268

HScode：

2933990090

Characteristics

PSA：

62.3

XLogP3：

1.4

Appearance：

Solid

Density：

1.2235 (rough estimate)

Melting Point：

146-147 °C

Boiling Point：

445.9ºC at 760 mmHg

Flash Point：

223.5ºC

Water Solubility：

insoluble

Storage Conditions：

2-8ºC

Collision Cross Section：

144 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

RTECS Number：

NL3660500

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-methoxyindole-3-acetic acid

5-Methoxyindoleacetic acid Use and Manufacturing

Reactant for preparation of aryloxybenzothiazoles as inhibitors of NO production 1 Reactant for preparation of transcription inhibitors of novel Gli1 as antitumor agents Reactant for preparation of indole derivatives as NR2B/NMDA receptor antagonists 2 Reactant for preparation of indolyl esters and amides related to indomethacin as selective COX-2 inhibitors 3 Reactant for preparation of quinoline salicylic acid series of P-selectin antagonists 4 Reactant for preparation of prostaglandin D2 receptor antagonists.

Computed Properties

Molecular Weight:205.21
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.07389321
Monoisotopic Mass:205.07389321
Topological Polar Surface Area:62.3
Heavy Atom Count:15
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Methoxyindole-3-acetic acid

CAS No.: 3471-31-6

Content: 99.00%

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Guide of 5-Methoxyindoleacetic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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5-Methoxyindoleacetic acid

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