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2-Isopropoxy-6-methylaniline

CAT: 0127-OR1099334-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1099334-01Size:250 mg
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CAS Number
187471-36-9
MDL Number
MFCD12170085
Purity
95%
Smiles
C1 (cccc (c1N) OC (C) C) C

Chemical Information

2-Isopropoxy-6-methylaniline
CAS Number187471-36-9
PubChem CID18629740
IUPAC Name2-methyl-6-propan-2-yloxyaniline
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP2.4
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity136
SMILES
CC1=C(C(=CC=C1)OC(C)C)N
InChI
InChI=1S/C10H15NO/c1-7(2)12-9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3
InChIKey
ICLNDJFVFRPPNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Isopropoxy-6-methylaniline
CAS: 187471-36-9
CID: 18629740
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity136
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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Alternative Products

CatalogName
TYD-04124-012-Isopropoxy-5-methylaniline
HY-I0882R-012-Isopropoxy-5-methylaniline (Standard)
RG-D091906-016,6'-Disulfanediylbis (2-Methylaniline)
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FC03024-012-Chloro-6-methylaniline
TRC-M329148-250MG2-Methoxy-6-methylaniline
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