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94844-02-7 | "2,2-dimethyl-3-(phenylamino)propan-1-ol"
CAS No: 94844-02-7 Catalog No: AG01FM87 MDL No:MFCD20662655
Product Description
Catalog Number:
AG01FM87
Chemical Name:
"2,2-dimethyl-3-(phenylamino)propan-1-ol"
CAS Number:
94844-02-7
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD20662655
IUPAC Name:
3-anilino-2,2-dimethylpropan-1-ol
InChI:
InChI=1S/C11H17NO/c1-11(2,9-13)8-12-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
InChI Key:
WRFXVUPTTUCBJF-UHFFFAOYSA-N
SMILES:
OCC(CNc1ccccc1)(C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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