Text Search
Structure Search

6-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrate

6-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrate

CAS: 1609402-71-2

Formula: C12H16N2O

SMILES: O.CC1=C2NC3=C(CNCC3)C2=CC=C1

IUPAC: 6-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrate

InChI: InChI=1S/C12H14N2.H2O/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;/h2-4,13-14H,5-7H2,1H3;1H2

Composition: C (70.56%), H (7.90%), N (13.71%), O (7.83%)

Molar Mass: 204.273

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 204.126263143
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey LNPSFIXQJIQFFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.73
Topological Polar Surface Area 27.82
Polarizability 23.63
Ring Count 3
Rotatable Bond Count 0

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1609402-71-2 $296.40-$997.65$296.40$997.65
Request Quote
ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1609402-71-2 $88.55-$495.65$88.55$151.80$495.65
Request Quote