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89443-71-0 | 1H-Indazol-5-ol, 3-[[3-(hexahydro-1H-azepin-1-yl)propyl]amino]-
CAS No: 89443-71-0 Catalog No: AG0044J7 MDL No:
Product Description
Catalog Number:
AG0044J7
Chemical Name:
1H-Indazol-5-ol, 3-[[3-(hexahydro-1H-azepin-1-yl)propyl]amino]-
CAS Number:
89443-71-0
Molecular Formula:
C16H24N4O
Molecular Weight:
288.3880
IUPAC Name:
3-[3-(azepan-1-yl)propylamino]-1H-indazol-5-ol
InChI:
InChI=1S/C16H24N4O/c21-13-6-7-15-14(12-13)16(19-18-15)17-8-5-11-20-9-3-1-2-4-10-20/h6-7,12,21H,1-5,8-11H2,(H2,17,18,19)
InChI Key:
BMSYTKPPUFJWKJ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(NCCCN1CCCCCC1)n[nH]2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.395g/mol
Monoisotopic Mass:
288.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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