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(R)-1-[[(S)-2-Aminopropyl](benzyl)amino]-2-propanol

(R)-1-[[(S)-2-Aminopropyl](benzyl)amino]-2-propanol - CAS 162150-54-1

Catalog:	BB011841
Product Name:	(R)-1-[[(S)-2-Aminopropyl](benzyl)amino]-2-propanol
CAS:	162150-54-1
Synonyms:	(2R)-1-[[(2S)-2-aminopropyl]-(phenylmethyl)amino]-2-propanol; (2R)-1-[[(2S)-2-aminopropyl]-benzylamino]propan-2-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2R)-1-[[(2S)-2-aminopropyl]-benzylamino]propan-2-ol
Description:	(R)-1-[[(S)-2-Aminopropyl](benzyl)amino]-2-propanol (CAS# 162150-54-1 ) is a useful research chemical.
Molecular Weight:	222.33
Molecular Formula:	C13H22N2O
Canonical SMILES:	CC(CN(CC1=CC=CC=C1)CC(C)O)N
InChI:	InChI=1S/C13H22N2O/c1-11(14)8-15(9-12(2)16)10-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,14H2,1-2H3/t11-,12+/m0/s1
InChI Key:	RSXGAEPLEHQTKS-NWDGAFQWSA-N
LogP:	1.91690

Publication Number	Title	Priority Date
WO-2019153080-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
US-2020331921-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
WO-2019119145-A1	Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20171221
EP-3728267-A1	Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20171221
US-2021053978-A1	Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20171221

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Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	222.17321333
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	222.17321333
Rotatable Bond Count:	6
Topological Polar Surface Area:	49.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1