1-Benzyl-pyrrolidine-3-carboxylic acid amide - CAS 115687-29-1

Catalog:	BB003612
Product Name:	1-Benzyl-pyrrolidine-3-carboxylic acid amide
CAS:	115687-29-1
Synonyms:	1-benzylpyrrolidine-3-carboxamide

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Computed Properties

IUPAC Name:	1-benzylpyrrolidine-3-carboxamide
Description:	1-Benzyl-pyrrolidine-3-carboxylic acid amide (CAS# 115687-29-1) is a useful research chemical.
Molecular Weight:	204.27
Molecular Formula:	C12H16N2O
Canonical SMILES:	C1CN(CC1C(=O)N)CC2=CC=CC=C2
InChI:	InChI=1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChI Key:	HNAGHMKIPMKKBB-UHFFFAOYSA-N
Boiling Point:	376.7 °C at 760 mmHg
Purity:	95 %
Density:	1.157 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD06658994
LogP:	1.63200

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
EP-3037412-A1	Indole amide compound as inhibitor of necrosis	20130822
US-2016194313-A1	Indole amide compound as inhibitor of necrosis	20130822
US-9868731-B2	Indole amide compound as inhibitor of necrosis	20130822

PMID	Publication Date	Title	Journal
19028504	20090102	Ethylbutyrate, a valproate-like compound, exhibits inositol-depleting effects--a potential mood-stabilizing drug	Life sciences
12188622	20020828	Flavor release and perception of flavored whey protein gels: perception is determined by texture rather than by release	Journal of agricultural and food chemistry

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[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[98435-76-8]
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Ethyl 1-benzyl-pyrrolidine-3-carboxylate

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.126263138
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.126263138
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8