2- (3-Aminophenyl) propan-2-ol

CAT: 0127-OR1035533Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

23243-05-2

Purity

97%

Smiles

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

Chemical Information

3-Amino-alpha,alpha-dimethylbenzenemethanol

CAS Number	23243-05-2
PubChem CID	10261264
IUPAC Name	2-(3-aminophenyl)propan-2-ol
Molecular Formula	C9H13NO
Molecular Weight	151.21
XLogP	1.1
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

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

InChI

InChI=1S/C9H13NO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,10H2,1-2H3

InChIKey

IYRJPNNPDGGYSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23243-05-2

CID: 10261264

Formula: C9H13NO

MW: 151.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.21
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	151.099714038
Monoisotopic Mass	151.099714038
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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