2- (4-Aminophenoxy) cyclohexan-1-ol

CAT: 0926-VXC57244-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VXC57244-01Size:50 mg

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CAS Number

1820572-44-8

MDL Number

MFCD28657149

Smiles

C1CCC (C (C1) O) OC2=CC=C (C=C2) N

Molecular Formula

C12H17NO2

Molecular Weight

207.27 g/mol

Controlled

Chemical Information

(1R,2R)-2-(4-Aminophenoxy)cyclohexan-1-ol

CAS Number	1820572-44-8
PubChem CID	13738568
IUPAC Name	trans-(1R,2R)-2-(4-aminophenoxy)cyclohexan-1-ol
Molecular Formula	C12H17NO2
Molecular Weight	207.27
XLogP	1.9
Topological Polar Surface Area	55.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	190

SMILES

C1CC[C@H]([C@@H](C1)O)OC2=CC=C(C=C2)N

InChI

InChI=1S/C12H17NO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4,13H2/t11-,12-/m1/s1

InChIKey

JHMFYABGGPNZRG-VXGBXAGGSA-N

Chemical Structure

2D Structure

CAS: 1820572-44-8

CID: 13738568

Formula: C12H17NO2

MW: 207.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.27
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	207.125928785
Monoisotopic Mass	207.125928785
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZTB66523-01	1- (4-Aminophenoxy) -2-methylpropan-2-ol
FWC53219-01	4- (Difluoromethyl) cyclohexan-1-ol
QMC47222-01	4- (Difluoromethoxy) cyclohexan-1-ol
RMC97742-01	4- (Cyclopropylmethoxy) cyclohexan-1-ol
ZDA19016-01	3- (4-Aminophenoxy) propan-1-ol
PDA45028-01	4- (2-Hydroxypropan-2-yl) cyclohexan-1-ol
BAA49636	1- (4-Fluorophenyl) cyclohexan-1-ol
CBA58343-01	2- (Hydroxymethyl) cyclohexan-1-ol
JXB36040-01	2- (4-Aminopiperidin-1-yl) cyclohexan-1-ol
KKA04560-01	1- (4-Aminophenoxy) -3- (dimethylamino) propan-2-ol

Catalog	Name
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OR1051232-01	4- (2-Hydroxypropan-2-yl) cyclohexan-1-ol
OR1068510-01	Cis-4- ((tert-Butyldimethylsilyl) oxy) cyclohexan-1-ol