trans-4-[(Boc-amino)methyl]cyclohexanemethanol - CAS 172348-63-9

Catalog:	BB012817
Product Name:	trans-4-[(Boc-amino)methyl]cyclohexanemethanol
CAS:	172348-63-9
Synonyms:	N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
Description:	trans-4-[(Boc-amino)methyl]cyclohexanemethanol (CAS# 172348-63-9) is a useful research chemical.
Molecular Weight:	243.34
Molecular Formula:	C13H25NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCC(CC1)CO
InChI:	InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChI Key:	KSXPGASLEFGROT-UHFFFAOYSA-N
MDL:	MFCD06657666
LogP:	2.70070

Publication Number	Title	Priority Date
WO-2020233512-A1	Aromatic amine ar and bet targeting protein degradation chimera compound and use	20190517
WO-2020135765-A1	Cxcr4 inhibitor and application thereof	20181228
US-2019322673-A1	Pteridinone compounds and uses thereof	20180424
WO-2019209757-A1	Pteridinone compounds and uses thereof	20180424
AU-2019257651-A1	Pteridinone compounds and uses thereof	20180424

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Related Functional Groups

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.18344366
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.18344366
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2