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Home > Indoles and Oxindole > 94071-13-3
94071-13-3 | 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-BUTANOL
CAS No: 94071-13-3 Catalog No: AG005VI2 MDL No:
Product Description
Catalog Number:
AG005VI2
Chemical Name:
2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-BUTANOL
CAS Number:
94071-13-3
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-ol
InChI:
InChI=1S/C15H20N2O/c18-10-4-3-7-14-15-12(8-9-16-14)11-5-1-2-6-13(11)17-15/h1-2,5-6,14,16-18H,3-4,7-10H2
InChI Key:
JGXRNUZQPOXGCW-UHFFFAOYSA-N
SMILES:
OCCCCC1NCCc2c1[nH]c1c2cccc1
EC Number:
301-814-1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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