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116209-55-3 | 2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1), (2S)-
CAS No: 116209-55-3 Catalog No: AG000BXY MDL No:MFCD08067730
Product Description
Catalog Number:
AG000BXY
Chemical Name:
2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1), (2S)-
CAS Number:
116209-55-3
Molecular Formula:
C18H30ClNO3
Molecular Weight:
343.8887
MDL Number:
MFCD08067730
IUPAC Name:
(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI:
InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m0./s1
InChI Key:
CHDPSNLJFOQTRK-LMOVPXPDSA-N
SMILES:
O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C.Cl
UNII:
8MR4W4O06J
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.892g/mol
Monoisotopic Mass:
343.191g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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