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16047-90-8 | 1-Propanol, 2,2-dimethyl-3-[(phenylmethyl)amino]-, 1-(hydrogen sulfate)
CAS No: 16047-90-8 Catalog No: AG001RYB MDL No:
Product Description
Catalog Number:
AG001RYB
Chemical Name:
1-Propanol, 2,2-dimethyl-3-[(phenylmethyl)amino]-, 1-(hydrogen sulfate)
CAS Number:
16047-90-8
IUPAC Name:
[3-(benzylamino)-2,2-dimethylpropyl] hydrogen sulfate
InChI:
InChI=1S/C12H19NO4S/c1-12(2,10-17-18(14,15)16)9-13-8-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3,(H,14,15,16)
InChI Key:
LIDBADFKICSIMI-UHFFFAOYSA-N
NSC Number:
142619
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.347g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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