3-(Boc-amino)-3-(4-chlorophenyl)-1-propanol - CAS 886493-66-9

Catalog:	BB039092
Product Name:	3-(Boc-amino)-3-(4-chlorophenyl)-1-propanol
CAS:	886493-66-9
Synonyms:	N-[1-(4-chlorophenyl)-3-hydroxypropyl]carbamic acid tert-butyl ester; tert-butyl N-[1-(4-chlorophenyl)-3-hydroxypropyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[1-(4-chlorophenyl)-3-hydroxypropyl]carbamate
Description:	3-(Boc-amino)-3-(4-chlorophenyl)-1-propanol (CAS# 886493-66-9 ) is a useful research chemical.
Molecular Weight:	285.77
Molecular Formula:	C14H20ClNO3
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCO)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChI Key:	RDWWIQVAGHYANA-UHFFFAOYSA-N
LogP:	3.49260

Publication Number	Title	Priority Date
US-2016083400-A1	Tricyclic guanidine derivative	20140918
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
EP-2201012-A1	Pyrrolo [2, 3 -d] pyrimidin derivatives as protein kinase b inhibitors	20071011

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	283
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.1131712
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	285.1131712
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8