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879-72-1 | 3-(Dimethylamino)-1-phenylpropan-1-one hydrochloride
CAS No: 879-72-1 Catalog No: AG004LYB MDL No:MFCD00012481
Product Description
Catalog Number:
AG004LYB
Chemical Name:
3-(Dimethylamino)-1-phenylpropan-1-one hydrochloride
CAS Number:
879-72-1
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
MDL Number:
MFCD00012481
IUPAC Name:
3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
InChI:
InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChI Key:
DKNDBIIKSJWQFL-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)c1ccccc1)C.Cl
EC Number:
212-909-1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.705g/mol
Monoisotopic Mass:
213.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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