7-Ethylindole-3-carbaldehyde - CAS 154989-45-4

Name: 7-Ethylindole-3-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011073
Product Name:	7-Ethylindole-3-carbaldehyde
CAS:	154989-45-4
Synonyms:	7-ethyl-1H-indole-3-carboxaldehyde; 7-ethyl-1H-indole-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-ethyl-1H-indole-3-carbaldehyde
Description:	7-Ethylindole-3-carbaldehyde (CAS# 154989-45-4) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C11H11NO
Canonical SMILES:	CCC1=CC=CC2=C1NC=C2C=O
InChI:	InChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(7-13)6-12-11(8)10/h3-7,12H,2H2,1H3
InChI Key:	DKTNMUOPASFCOT-UHFFFAOYSA-N
Boiling Point:	356.1 °C at 760 mmHg
Density:	1.183 g/cm³
Appearance:	Solid
MDL:	MFCD03043379
LogP:	2.54280

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2015017866-A1	Processes and host cells for genome, pathway, and biomolecular engineering	20130802
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
CA-2532403-A1	Ppar active compounds	20030717

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.084063974
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3