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2-Amino-2-hydroxymethylindane

CAT: 0926-LFA83485-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-LFA83485-01Size:50 mg
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CAS Number
136834-85-0
MDL Number
MFCD09878894
Smiles
C1C2=CC=CC=C2CC1 (CO) N
Molecular Formula
C10H13NO
Molecular Weight
163.22 g/mol
Controlled
No

Chemical Information

(2-Amino-2,3-dihydro-1H-inden-2-yl)methanol
CAS Number136834-85-0
PubChem CID22080542
IUPAC Name(2-amino-1,3-dihydroinden-2-yl)methanol
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP0.5
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity155
SMILES
C1C2=CC=CC=C2CC1(CO)N
InChI
InChI=1S/C10H13NO/c11-10(7-12)5-8-3-1-2-4-9(8)6-10/h1-4,12H,5-7,11H2
InChIKey
KWGNCGJHXQVIOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Amino-2,3-dihydro-1H-inden-2-yl)methanol
CAS: 136834-85-0
CID: 22080542
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area46.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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