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79801-91-5 | 9H-Pyrido[2,3-b]indol-2-amine,3-butyl-
CAS No: 79801-91-5 Catalog No: AG00505P MDL No:
Product Description
Catalog Number:
AG00505P
Chemical Name:
9H-Pyrido[2,3-b]indol-2-amine,3-butyl-
CAS Number:
79801-91-5
Molecular Formula:
C15H17N3
Molecular Weight:
239.3156
IUPAC Name:
3-butyl-9H-pyrido[2,3-b]indol-2-amine
InChI:
InChI=1S/C15H17N3/c1-2-3-6-10-9-12-11-7-4-5-8-13(11)17-15(12)18-14(10)16/h4-5,7-9H,2-3,6H2,1H3,(H3,16,17,18)
InChI Key:
SHCQFMNADULDKN-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c([nH]c1N)nc1c2cccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.322g/mol
Monoisotopic Mass:
239.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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