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121912-30-9 | Hexanoic acid, 6-(methylamino)-, hydrochloride (1:1)
CAS No: 121912-30-9 Catalog No: AG0016EP MDL No:
Product Description
Catalog Number:
AG0016EP
Chemical Name:
Hexanoic acid, 6-(methylamino)-, hydrochloride (1:1)
CAS Number:
121912-30-9
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
IUPAC Name:
6-(methylamino)hexanoic acid;hydrochloride
InChI:
InChI=1S/C7H15NO2.ClH/c1-8-6-4-2-3-5-7(9)10;/h8H,2-6H2,1H3,(H,9,10);1H
InChI Key:
AILMWCOKRFHBHG-UHFFFAOYSA-N
SMILES:
CNCCCCCC(=O)O.Cl
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.66g/mol
Monoisotopic Mass:
181.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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