5-(Dimethylamino)-2-pentanone - CAS 43018-61-7

Catalog:	BB025303
Product Name:	5-(Dimethylamino)-2-pentanone
CAS:	43018-61-7
Synonyms:	5-(dimethylamino)-2-pentanone; 5-(dimethylamino)pentan-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-(dimethylamino)pentan-2-one
Description:	5-(Dimethylamino)-2-pentanone (CAS# 43018-61-7) is a useful research chemical.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	CC(=O)CCCN(C)C
InChI:	InChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-6H2,1-3H3
InChI Key:	HCRLXYVAWDRFBV-UHFFFAOYSA-N
Boiling Point:	172.5 °C at 760 mmHg
Density:	0.87 g/cm³
MDL:	MFCD00048233
LogP:	0.91720

Publication Number	Title	Priority Date
CN-112266356-A	Asymmetric synthesis method of (S) -chloroquine phosphate	20200925
WO-2021062246-A1	Crf receptor antagonists and methods of use	20190927
US-2019298681-A1	Nanoliposomal Targeting of Ephrin Receptor A2 (Epha2) and Related Diagnostics	20160316
JP-2016094351-A	Ketimino group-containing organosilicon compound and method for producing the same	20141112
JP-6265109-B2	Ketimino group-containing organosilicon compound and method for producing the same	20141112

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Carbonyl Compounds

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3