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3-(Boc-amino)-3-(4-chlorophenyl)-1-propylamine

3-(Boc-amino)-3-(4-chlorophenyl)-1-propylamine - CAS 885595-59-5

Catalog:	BB039005
Product Name:	3-(Boc-amino)-3-(4-chlorophenyl)-1-propylamine
CAS:	885595-59-5
Synonyms:	N-[3-amino-1-(4-chlorophenyl)propyl]carbamic acid tert-butyl ester; tert-butyl N-[3-amino-1-(4-chlorophenyl)propyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[3-amino-1-(4-chlorophenyl)propyl]carbamate
Description:	3-(Boc-amino)-3-(4-chlorophenyl)-1-propylamine (CAS# 885595-59-5 ) is a useful research chemical.
Molecular Weight:	284.78
Molecular Formula:	C14H21ClN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCN)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-12(8-9-16)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChI Key:	ASWDIABJPCJCQT-UHFFFAOYSA-N
LogP:	4.34580

Publication Number	Title	Priority Date
AU-2008309383-A1	Pyrrolo [2, 3 -D] pyrimidin derivatives as protein kinase B inhibitors	20071011
AU-2008309383-B2	Pyrrolo [2, 3 -D] pyrimidin derivatives as protein kinase B inhibitors	20071011
CA-2701057-A1	Pyrrolo[2,3-d]pyrimidin derivatives as protein kinase b inhibitors	20071011
CA-2701057-C	Pyrrolo[2,3-d]pyrimidin derivatives as protein kinase b inhibitors	20071011
EP-2201012-A1	Pyrrolo [2, 3 -d] pyrimidin derivatives as protein kinase b inhibitors	20071011

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Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.1291556
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	284.1291556
Rotatable Bond Count:	6
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5