3-(2-Chlorophenyl)-1-propylamine - CAS 18655-48-6

Catalog:	BB014337
Product Name:	3-(2-Chlorophenyl)-1-propylamine
CAS:	18655-48-6
Synonyms:	3-(2-chlorophenyl)-1-propanamine; 3-(2-chlorophenyl)propan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-chlorophenyl)propan-1-amine
Description:	3-(2-Chlorophenyl)-1-propylamine (CAS# 18655-48-6) is a useful research chemical compound.
Molecular Weight:	169.65
Molecular Formula:	C9H12ClN
Canonical SMILES:	C1=CC=C(C(=C1)CCCN)Cl
InChI:	InChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2
InChI Key:	IBVNNEPIXJSRAS-UHFFFAOYSA-N
Boiling Point:	252.3 °C at 760 mmHg
Density:	1.098 g/cm³
MDL:	MFCD06212636
LogP:	2.93160

Publication Number	Title	Priority Date
TW-201738203-A	Tertiary guanamine and method of use	20160406
US-2019119200-A1	Tertiary amides and method of use	20160406
WO-2017177004-A1	Tertiary amides and method of use	20160406
US-10226452-B2	Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments	20140512
US-2017182010-A1	Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments	20140512

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Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0658271
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.0658271
Rotatable Bond Count:	3
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2