3-Aminopropanamide - CAS 4726-85-6

Catalog:	BB026245
Product Name:	3-Aminopropanamide
CAS:	4726-85-6
Synonyms:	3-aminopropanamide; 3-aminopropanamide

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Computed Properties

IUPAC Name:	3-aminopropanamide
Description:	3-Aminopropanamide (CAS# 4726-85-6) is a useful research chemical.
Molecular Weight:	88.11
Molecular Formula:	C3H8N2O
Canonical SMILES:	C(CN)C(=O)N
InChI:	InChI=1S/C3H8N2O/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)
InChI Key:	RSDOASZYYCOXIB-UHFFFAOYSA-N
Boiling Point:	306.5 °C at 760 mmHg
Density:	1.067 g/cm³
LogP:	0.22110

Publication Number	Title	Priority Date
US-2015225367-A1	Novel 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use	20140212
WO-2015121812-A1	Novel 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use	20140212
WO-2015106200-A2	Dipeptides as inhibitors of human immunoproteasomes	20140110
US-2015157721-A1	Polymer-carbohydrate conjugates for drug delivery technology	20131205
WO-2015071393-A1	Tetrahydro-benzodiazepinones	20131118

PMID	Publication Date	Title	Journal
23081916	20121001	Small organic solutes in sticky droplets from orb webs of the spider Zygiella atrica (Araneae; Araneidae): β-alaninamide is a novel and abundant component	Chemistry & biodiversity
22280453	20120308	Irreversible inhibition of epidermal growth factor receptor activity by 3-aminopropanamides	Journal of medicinal chemistry
21792148	20110726	Synthesis of both ionic species of ammonium dithiocarbamate derived cholic acid moieties	Molecules (Basel, Switzerland)
20828127	20101013	Asparagine decarboxylation by lipid oxidation products in model systems	Journal of agricultural and food chemistry
20673718	20100901	Addressing time-dependent CYP 3A4 inhibition observed in a novel series of substituted amino propanamide renin inhibitors, a case study	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, and P337+P317
Signal Word:	Warning

Complexity:	52.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.06366288299999
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	88.06366288299999
Rotatable Bond Count:	2
Topological Polar Surface Area:	69.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.9