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1989672-76-5 | "2-amino-2,4,4-trimethylpentan-3-one hydrochloride"
CAS No: 1989672-76-5 Catalog No: AG01FMCY MDL No:MFCD30342702
Product Description
Catalog Number:
AG01FMCY
Chemical Name:
"2-amino-2,4,4-trimethylpentan-3-one hydrochloride"
CAS Number:
1989672-76-5
Molecular Formula:
C8H18ClNO
Molecular Weight:
179.6876
MDL Number:
MFCD30342702
IUPAC Name:
2-amino-2,4,4-trimethylpentan-3-one;hydrochloride
InChI:
InChI=1S/C8H17NO.ClH/c1-7(2,3)6(10)8(4,5)9;/h9H2,1-5H3;1H
InChI Key:
MYDMBHFOVNTBGW-UHFFFAOYSA-N
SMILES:
O=C(C(N)(C)C)C(C)(C)C.Cl
Properties
Complexity:
142
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:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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