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76410-34-9 | 2-Propanol,1-[(phenylmethyl)amino]-3-[(1,2,3-trimethyl-1H-indol-4-yl)oxy]-, hydrochloride(1:1)
CAS No: 76410-34-9 Catalog No: AG005CBD MDL No:
Product Description
Catalog Number:
AG005CBD
Chemical Name:
2-Propanol,1-[(phenylmethyl)amino]-3-[(1,2,3-trimethyl-1H-indol-4-yl)oxy]-, hydrochloride(1:1)
CAS Number:
76410-34-9
Molecular Formula:
C21H27ClN2O2
Molecular Weight:
374.9043
IUPAC Name:
1-(benzylamino)-3-(1,2,3-trimethylindol-4-yl)oxypropan-2-ol;hydrochloride
InChI:
InChI=1S/C21H26N2O2.ClH/c1-15-16(2)23(3)19-10-7-11-20(21(15)19)25-14-18(24)13-22-12-17-8-5-4-6-9-17;/h4-11,18,22,24H,12-14H2,1-3H3;1H
InChI Key:
UUAQVSLWQXBDLI-UHFFFAOYSA-N
SMILES:
OC(COc1cccc2c1c(C)c(n2C)C)CNCc1ccccc1.Cl
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
374.909g/mol
Monoisotopic Mass:
374.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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