3-Phenyl-1-butylamine - CAS 38135-56-7

Catalog:	BB023546
Product Name:	3-Phenyl-1-butylamine
CAS:	38135-56-7
Synonyms:	3-phenyl-1-butanamine; 3-phenylbutan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	3-phenylbutan-1-amine
Description:	3-Phenyl-1-butylamine (CAS# 38135-56-7) is a useful research chemical.
Molecular Weight:	149.23
Molecular Formula:	C10H15N
Canonical SMILES:	CC(CCN)C1=CC=CC=C1
InChI:	InChI=1S/C10H15N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChI Key:	HJMCIHLESAJJQL-UHFFFAOYSA-N
Boiling Point:	223.9 °C at 760 mmHg
Density:	0.934 g/cm³
MDL:	MFCD07786703
LogP:	2.83920

Publication Number	Title	Priority Date
CN-113264895-A	Synthetic method for preparing benzoxazole compound from catechol compound and amine compound	20210606
CN-113264896-A	Synthetic method for preparing benzoxazole compound by oxidizing catechol compound with oxygen	20210606
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020056074-A1	Indazole carboxamides as kinase inhibitors	20180913

PMID	Publication Date	Title	Journal
19685890	20090910	Fluoxetine and norfluoxetine revisited: new insights into the electrochemical and spectroscopic properties	The journal of physical chemistry. A

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Complexity:	95
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.120449483
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.120449483
Rotatable Bond Count:	3
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9