CAS 50910-54-8|trans-4-Aminocyclohexanol hydrochloride|(1r,4r)-4-aminocyclohexan-1-ol hydrochloride|(1r,4r)-4-aminocyclohexan-1-ol hydrochloride|反式-4-羟基环己基胺盐酸盐|trans-4-Aminocyclohexanol ...

General Information

Structure

Molecular Formula

C₆H₁₄ClNO

Molecular Mass

151.63446

Exact Mass

151.07639175

Charge

InChI

InChI=1S/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6-;

InChIKey

RKTQEVMZBCBOSB-KYOXOEKESA-N

Canonic Smiles

N[C@@H]1CC[C@H](CC1)O.Cl

Isomeric Smiles

[C@@H]1(CC[C@@H](CC1)N)O.Cl

Calculated Properties

JChem

Acid pKa

15.25663

H Acceptors

H Donor

LogD (pH = 5.5)

-3.2356453

LogD (pH = 7.4)

-2.7809699

Log P

-0.21290687

Molar Refractivity

32.6025

Polarizability

13.196873

Polar Surface Area

46.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

trans-4-Aminocyclohexanol hydrochloride反式-4-羟基环己基胺盐酸盐trans-4-Aminocyclohexanol hydrochloridetrans-4-Hydroxycyclohexylamine hydrochloride反式-4-氨基环己醇盐酸盐trans-4-Aminocyclohexanol Monohydrochloridetrans-4-aminocyclohexan-1-ol hydrochloridetrans-1-Amino-4-hydroxycyclohexane Hydrochloride反式-4-氨基环己醇盐酸盐trans-4-Amino-1-cyclohexanol Hydrochloride

IUPAC Traditional name

(1r,4r)-4-aminocyclohexan-1-ol hydrochloride

IUPAC name

(1r,4r)-4-aminocyclohexan-1-ol hydrochloride

Names and Identifiers

Registration numbers

CAS Number

50910-54-8

Beilstein Number

3909294

MDL Number

MFCD00012566