1-tert-Butyl-1H-pyrrole-3-carbaldehyde - CAS 30186-46-0

Catalog:	BB020485
Product Name:	1-tert-Butyl-1H-pyrrole-3-carbaldehyde
CAS:	30186-46-0
Synonyms:	1-tert-butylpyrrole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	1-tert-butylpyrrole-3-carbaldehyde
Description:	1-tert-Butyl-1H-pyrrole-3-carbaldehyde (CAS# 30186-46-0) is a useful research chemical.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	CC(C)(C)N1C=CC(=C1)C=O
InChI:	InChI=1S/C9H13NO/c1-9(2,3)10-5-4-8(6-10)7-11/h4-7H,1-3H3
InChI Key:	GRBRIIBLVDTOMG-UHFFFAOYSA-N
Boiling Point:	229.9 °C at 760 mmHg
Density:	0.94 g/cm³
MDL:	MFCD07801197
LogP:	2.05560

Publication Number	Title	Priority Date
WO-2020160180-A1	Compounds and uses thereof	20190129
WO-2012019015-A2	Methods and compositions for the treatment of myeloproliferative diseases and other proliferative diseases	20100804
AU-2008242767-A1	Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases	20070420
CA-2684949-A1	Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases	20070420
EP-2146716-A1	Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases	20070420

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Related Functional Groups

Pyrroles

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[2368945-96-2]
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[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	22
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1