trans-(2-Aminocyclohexyl)methanol - CAS 5691-21-4

Catalog:	BB029529
Product Name:	trans-(2-Aminocyclohexyl)methanol
CAS:	5691-21-4
Synonyms:	[(1R,2R)-2-aminocyclohexyl]methanol; [(1R,2R)-2-aminocyclohexyl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[(1R,2R)-2-aminocyclohexyl]methanol
Description:	trans-(2-Aminocyclohexyl)methanol (CAS# 5691-21-4) is a useful research chemical.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	C1CCC(C(C1)CO)N
InChI:	InChI=1S/C7H15NO/c8-7-4-2-1-3-6(7)5-9/h6-7,9H,1-5,8H2/t6-,7+/m0/s1
InChI Key:	GCWPGEWXYDEQAY-NKWVEPMBSA-N
Boiling Point:	649 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD09260357
LogP:	1.19650

Publication Number	Title	Priority Date
EP-3350177-A1	Heteroaryl compounds as irak inhibitors and uses thereof	20150918
US-10059701-B2	Heteroaryl compounds as IRAK inhibitors and uses thereof	20150918
US-10392375-B2	Heteroaryl compounds as IRAK inhibitors and uses thereof	20150918
US-2017081317-A1	Heteroaryl compounds as irak inhibitors and uses thereof	20150918
US-2018237426-A1	Heteroaryl compounds as irak inhibitors and uses thereof	20150918

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Related Functional Groups

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Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9