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trans-4-[(Boc-amino)methyl]cyclohexanecarbaldehyde

trans-4-[(Boc-amino)methyl]cyclohexanecarbaldehyde - CAS 180046-90-6

Catalog:	BB013640
Product Name:	trans-4-[(Boc-amino)methyl]cyclohexanecarbaldehyde
CAS:	180046-90-6
Synonyms:	N-[(4-formylcyclohexyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(4-formylcyclohexyl)methyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(4-formylcyclohexyl)methyl]carbamate
Description:	trans-4-[(Boc-amino)methyl]cyclohexanecarbaldehyde (CAS# 180046-90-6 ) is a useful research chemical.
Molecular Weight:	241.33
Molecular Formula:	C13H23NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCC(CC1)C=O
InChI:	InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h9-11H,4-8H2,1-3H3,(H,14,16)
InChI Key:	NYVWCWFKYRHGOP-UHFFFAOYSA-N
LogP:	2.90730

Publication Number	Title	Priority Date
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
US-2020054623-A1	Chemokine CXCR4 Receptor Modulators and Uses Related Thereto	20170221
US-10280229-B2	Linkers and their application towards ADC	20140716
US-2017202974-A1	Linkers and their application towards adc	20140716
WO-2016008392-A1	Linkers and their application towards adc	20140716

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.1677936
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.1677936
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9