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85054-53-1 | 1-Pentanol, 4-amino-4-methyl-
CAS No: 85054-53-1 Catalog No: AG004SIK MDL No:MFCD11052513
Product Description
Catalog Number:
AG004SIK
Chemical Name:
1-Pentanol, 4-amino-4-methyl-
CAS Number:
85054-53-1
Molecular Formula:
C6H15NO
Molecular Weight:
117.1894
MDL Number:
MFCD11052513
IUPAC Name:
4-amino-4-methylpentan-1-ol
InChI:
InChI=1S/C6H15NO/c1-6(2,7)4-3-5-8/h8H,3-5,7H2,1-2H3
InChI Key:
PUCFHKBOPVGLPI-UHFFFAOYSA-N
SMILES:
OCCCC(N)(C)C
Properties
Complexity:
61.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.115g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.192g/mol
Monoisotopic Mass:
117.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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