1- (3-Aminophenyl) ethane-1,2-diol

CAT: 0127-OR1035388-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1035388-01Size:100 mg

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CAS Number

112534-31-3

Purity

98%

Smiles

OC(C1=CC=CC(N)=C1)CO

Chemical Information

1-(3-Aminophenyl)ethane-1,2-diol

CAS Number	112534-31-3
PubChem CID	14997033
IUPAC Name	1-(3-aminophenyl)ethane-1,2-diol
Molecular Formula	C8H11NO2
Molecular Weight	153.18
XLogP	-0.3
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

C1=CC(=CC(=C1)N)C(CO)O

InChI

InChI=1S/C8H11NO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,10-11H,5,9H2

InChIKey

WLEZORZJBMDTIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112534-31-3

CID: 14997033

Formula: C8H11NO2

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	153.078978594
Monoisotopic Mass	153.078978594
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR75877-01	1- (Pyridin-3-yl) ethane-1,2-diol
OR1046461-01	1- (2-Nitrophenyl) ethane-1,2-diol
OR1058232-01	1- (p-Tolyl) ethane-1,2-diol
OR1082837-01	1- (4-methoxyphenyl) ethane-1,2-diol
OR1033810-01	1- (4-Bromophenyl) ethane-1,2-diol
OR1040288-01	1,2-Di (pyridin-3-yl) ethane-1,2-diol
OR30385	2- (2-methyl-1,3-dioxolan-2-yl) ethane-1,1-diol
OR77912-01	(S) -1- (4-Bromophenyl) ethane-1,2-diol
OR77376-01	(R) -1- (4-Bromophenyl) ethane-1,2-diol
PC421192	(R) -1- (4-Chloro-3-fluorophenyl) ethane-1,2-diol

Catalog	Name
MEA53431-01	1- (3-Aminophenyl) ethane-1,2-diol
AR-P31268-01	1- (3-hydroxyphenyl) ethane-1,2-diol
HDA80742-01	1- (3-Methoxyphenyl) ethane-1,2-diol
AR-P31269-01	(1R) -1- (3-hydroxyphenyl) ethane-1,2-diol
FKB49812-01	1- (3,5-Dimethylphenyl) ethane-1,2-diol
RG-P022748-01	(R) -1- (3-Hydroxyphenyl) Ethane-1,2-Diol
IMC11677-01	1- (4-Chloro-3-fluorophenyl) ethane-1,2-diol
YNC03497-01	1- (1,3-Thiazol-4-yl) ethane-1,2-diol
TRC-A621690-100MG	(R)-1-(3-amino-4-hydroxyphenyl)ethane-1,2-diol
MNA91253-01	N- (4-Aminophenyl) ethane-1-sulfonamide