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Indole-3-lactic acid

Indole-3-lactic acid structure

CAS No:
1821-52-9
Formula:
C11H11NO3
Chemical Name:
Indole-3-lactic acid
Synonyms:
1H-Indole-3-propanoic acid,α-hydroxy-;Indole-3-lactic acid;Indolelactic acid;α-Hydroxy-1H-indole-3-propanoic acid;3-Indolyllactic acid;β-(3-Indolyl)lactic acid;β-Indolyllactic acid;2-Hydroxy-3-(3-indolyl)propanoic acid;3-(3-Indolyl)-2-hydroxypropionic acid;DL-Indole-3-lactic acid;2-Hydroxy-3-(1H-indol-3-yl)propanoic acid;3-(3-Indolyl)-DL-lactic acid;832-97-3
Categories:
Agrochemicals > Plant Growth Regulators

Description

ChEBI: A hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan.

3-(indol-3-yl)lactic acid is a hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has a role as a human metabolite. It is an indol-3-yl carboxylic acid and a hydroxy monocarboxylic acid. It derives from a rac-lactic acid. It is a conjugate acid of a 3-(indol-3-yl)lactate.

Indole-3-lactic acid Basic Attributes

Molecular Weight：

205.21

Exact Mass：

205.21

EC Number：

217-347-0

Characteristics

PSA：

73.3

XLogP3：

1.15590

Density：

1.428±0.06 g/cm3(Predicted)

Melting Point：

97-100 °C

Boiling Point：

477.3±30.0 °C(Predicted)

Flash Point：

242.4ºC

Water Solubility：

17 mg/mL

Storage Conditions：

2-8°C

Collision Cross Section：

143.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.51 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

wgk germany：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

5-hydroxyindolepropionic acid

Computed Properties

Molecular Weight:205.21
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.07389321
Monoisotopic Mass:205.07389321
Topological Polar Surface Area:73.3
Heavy Atom Count:15
Complexity:244
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes