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109935-79-7 | N1,N1,N2,N2-Tetramethyl-3-(10H-phenothiazin-10-yl)-1,2-propanediamine dihydrochloride
CAS No: 109935-79-7 Catalog No: AG003AV4 MDL No:
Product Description
Catalog Number:
AG003AV4
Chemical Name:
N1,N1,N2,N2-Tetramethyl-3-(10H-phenothiazin-10-yl)-1,2-propanediamine dihydrochloride
CAS Number:
109935-79-7
Molecular Formula:
C19H27Cl2N3S
Molecular Weight:
400.4088
IUPAC Name:
N'-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-N'-methylmethanediamine;dihydrochloride
InChI:
InChI=1S/C17H21BrN2O.2ClH/c1-20(13-19)11-12-21-17(14-5-3-2-4-6-14)15-7-9-16(18)10-8-15;;/h2-10,17H,11-13,19H2,1H3;2*1H
InChI Key:
IPILLAGNYFQYLD-UHFFFAOYSA-N
SMILES:
CN(CC(N(C)C)CN1c2ccccc2Sc2c1cccc2)C.Cl.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.037g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.188g/mol
Monoisotopic Mass:
420.037g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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