trans-2-Aminocyclohexanol - CAS 6982-39-4

Catalog:	BB033985
Product Name:	trans-2-Aminocyclohexanol
CAS:	6982-39-4
Synonyms:	(1R,2R)-2-amino-1-cyclohexanol; (1R,2R)-2-aminocyclohexan-1-ol

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BB033985	50 g	$228	In stock

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Computed Properties

IUPAC Name:	(1R,2R)-2-aminocyclohexan-1-ol
Description:	trans-2-Aminocyclohexanol (CAS# 6982-39-4) is a useful building block for organic synthesis.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	C1CCC(C(C1)N)O
InChI:	InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6-/m1/s1
InChI Key:	PQMCFTMVQORYJC-PHDIDXHHSA-N
Boiling Point:	201.1 °C at 760 mmHg
Density:	1.037 g/cm³
LogP:	0.94890

Publication Number	Title	Priority Date
CN-113149881-A	Chiral derivatization reagent and preparation method and application thereof	20210304
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
WO-2021105115-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
US-2021094972-A1	Heterocyclic compounds	20190924

PMID	Publication Date	Title	Journal
18830489	20081021	trans-2-Aminocyclohexanol as a pH-sensitive conformational switch in lipid amphiphiles	Chemical communications (Cambridge, England)
16620105	20060426	Amino alcohols as ligands for nickel-catalyzed suzuki reactions of unactivated alkyl halides, including secondary alkyl chlorides, with arylboronic acids	Journal of the American Chemical Society

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GHS Hazard Statement:	H314 (98.88%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1