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146861-66-7 | 1H-Pyrido[3,4-b]indole-1-butanamine, 2,3,4,9-tetrahydro-
CAS No: 146861-66-7 Catalog No: AG001EER MDL No:
Product Description
Catalog Number:
AG001EER
Chemical Name:
1H-Pyrido[3,4-b]indole-1-butanamine, 2,3,4,9-tetrahydro-
CAS Number:
146861-66-7
Molecular Formula:
C15H21N3
Molecular Weight:
243.3473
IUPAC Name:
4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine
InChI:
InChI=1S/C15H21N3/c16-9-4-3-7-14-15-12(8-10-17-14)11-5-1-2-6-13(11)18-15/h1-2,5-6,14,17-18H,3-4,7-10,16H2
InChI Key:
RBYMMMUWJMTPBK-UHFFFAOYSA-N
SMILES:
NCCCCC1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.354g/mol
Monoisotopic Mass:
243.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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