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894079-56-2 | Phenol, 3-[(1S)-1-(dimethylamino)ethyl]-, hydrochloride
CAS No: 894079-56-2 Catalog No: AG003VSH MDL No:
Product Description
Catalog Number:
AG003VSH
Chemical Name:
Phenol, 3-[(1S)-1-(dimethylamino)ethyl]-, hydrochloride
CAS Number:
894079-56-2
Molecular Formula:
C10H16ClNO
Molecular Weight:
201.6931
IUPAC Name:
3-[(1S)-1-(dimethylamino)ethyl]phenol;hydrochloride
InChI:
InChI=1S/C10H15NO.ClH/c1-8(11(2)3)9-5-4-6-10(12)7-9;/h4-8,12H,1-3H3;1H/t8-;/m0./s1
InChI Key:
HYSDCAISHZHIRV-QRPNPIFTSA-N
SMILES:
CN([C@H](c1cccc(c1)O)C)C.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.092g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.694g/mol
Monoisotopic Mass:
201.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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