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20041-51-4 | 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenylthio)-, hydrochloride (1:1)
CAS No: 20041-51-4 Catalog No: AG002CRJ MDL No:
Product Description
Catalog Number:
AG002CRJ
Chemical Name:
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenylthio)-, hydrochloride (1:1)
CAS Number:
20041-51-4
Molecular Formula:
C16H22ClNOS
Molecular Weight:
311.8700
IUPAC Name:
1-naphthalen-1-ylsulfanyl-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI:
InChI=1S/C16H21NOS.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
InChI Key:
SGUGKHPFEWZMMM-UHFFFAOYSA-N
SMILES:
OC(CSc1cccc2c1cccc2)CNC(C)C.Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.868g/mol
Monoisotopic Mass:
311.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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