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207233-98-5 | 9H-Carbazole, 9-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]propyl]-, hydrochloride, hydrate (1:2:1), rel-
CAS No: 207233-98-5 Catalog No: AG002IWV MDL No:
Product Description
Catalog Number:
AG002IWV
Chemical Name:
9H-Carbazole, 9-[3-[(3R,5S)-3,5-dimethyl-1-piperazinyl]propyl]-, hydrochloride, hydrate (1:2:1), rel-
CAS Number:
207233-98-5
IUPAC Name:
9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole;hydrate;dihydrochloride
InChI:
InChI=1S/C21H27N3.2ClH.H2O/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;2*1H;1H2/t16-,17+;;;
InChI Key:
KBDPRNVDBYQTMS-HHIRZUMWSA-N
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
412.399g/mol
Monoisotopic Mass:
411.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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