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113697-90-8 | 2-Octanone, 1-amino-, hydrochloride (1:1)
CAS No: 113697-90-8 Catalog No: AG0009D3 MDL No:
Product Description
Catalog Number:
AG0009D3
Chemical Name:
2-Octanone, 1-amino-, hydrochloride (1:1)
CAS Number:
113697-90-8
Molecular Formula:
C8H18ClNO
Molecular Weight:
179.6876
IUPAC Name:
1-aminooctan-2-one;hydrochloride
InChI:
InChI=1S/C8H17NO.ClH/c1-2-3-4-5-6-8(10)7-9;/h2-7,9H2,1H3;1H
InChI Key:
WKCBWGSDJCODIX-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)CN.Cl
Properties
Complexity:
91.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.688g/mol
Monoisotopic Mass:
179.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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