1H-Indole-3-propanoic acid
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1H-Indole-3-propanoic acid
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CAS No:
830-96-6
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Formula:
C11H11NO2
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Chemical Name:
1H-Indole-3-propanoic acid
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Synonyms:
1H-Indole-3-propanoic acid;Indole-3-propionic acid;3-(3-Indolyl)propionic acid;β-(3-Indolyl)propionic acid;β-Indole-3-propionic acid;β-Indolepropionic acid;1H-Indole-3-propionic acid;3-(3-Indolyl)propanoic acid;3-(2-Carboxyethyl)-1H-indole;IPA;IPA (auxin);3-(1H-Indol-3-yl)propanoic acid;3-(1H-Indol-3-yl)propionic acid;NSC 3252;NSC 47831;3-(Indole-3-yl)propanoic acid
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CAS No:
Description
3-Indolepropionic acid is shown to be a powerful antioxidant and has potential in the treatment for Alzheimer’s disease.
Solid
3-(1H-indol-3-yl)propanoic acid is an indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3. It has a role as an auxin, a human metabolite and a plant metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-(1H-indol-3-yl)propanoate.
1H-Indole-3-propanoic acid Basic Attributes
189.21
189.21
212-600-1
JF49U1Q7KN
47831|3252
DTXSID7061192
2933990090
Characteristics
53.1
1.8
Solid
1.3±0.1 g/cm3
134-135 °C
417.6°C at 760 mmHg
206.4±21.8 °C
1.667
slightly soluble
-20ºC
33 mm Hg ( 20 °C)
2.1 (vs air)
LDLo intraperitoneal in mouse: 100mg/kg
Safety Information
UN 1987 3/PG 3
3
R22;R36/37/38
S7-S16-S24/25-S26-S36/37-S37/39-S22
NT8050000
Xi:Irritant;
Stable under normal temperatures and pressures.
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, P501
H302
|Warning|H302 (22.22%): 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|Aggregated GHS information provided by 11 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:189.21
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:189.078978594
Monoisotopic Mass:189.078978594
Topological Polar Surface Area:53.1
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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