3-(Dimethylamino)-2-iodoacrolein - CAS 1228184-62-0

Catalog:	BB005527
Product Name:	3-(Dimethylamino)-2-iodoacrolein
CAS:	1228184-62-0
Synonyms:	3-(dimethylamino)-2-iodoprop-2-enal

Technical Data

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Computed Properties

IUPAC Name:	3-(dimethylamino)-2-iodoprop-2-enal
Description:	3-(Dimethylamino)-2-iodoacrolein (CAS# 1228184-62-0 ) is a useful research chemical.
Molecular Weight:	225.03
Molecular Formula:	C5H8INO
Canonical SMILES:	CN(C)C=C(C=O)I
InChI:	InChI=1S/C5H8INO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3
InChI Key:	AHWCNVWCBYBGQI-UHFFFAOYSA-N
MDL:	MFCD12923229
LogP:	1.02330

Publication Number	Title	Priority Date
AU-2015239100-A1	Macrocylic pyridine derivatives	20140403
AU-2015239100-B2	Macrocylic pyridine derivatives	20140403
CA-2942751-A1	Macrocylic pyridine derivatives	20140403
EA-029758-B1	MACROCYCLIC DERIVATIVES OF PYRIDINE	20140403
EP-3126365-A1	Macrocylic pyridine derivatives	20140403

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[55877-31-1]
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[78056-67-4]
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[5724-76-5]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement:	P261, P264, P270, P284, P301+P316, P304+P340, P321, P330, P342+P316, P405, and P501
Signal Word:	Danger

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.96506
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.96506
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	0.7