Text Search
Structure Search

(²H?)methyl({3-[(2E)-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride

(²H?)methyl({3-[(2E)-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride

CAS: 1331665-54-3

Formula: C18H20ClNO

SMILES: Cl.[2H]C([2H])([2H])NCCC=C1/C2=C(COC3=C1C=CC=C3)C=CC=C2

IUPAC: (²H?)methyl({3-[(2E)-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride

InChI: InChI=1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H/b16-10+;/i1D3;

Composition: C (70.92%), H (5.62%), [2H] (1.98%), Cl (11.63%), N (4.59%), O (5.25%)

Molar Mass: 304.83

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 304.1421722
Formal Charge 0
FSP3 N/A
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GNPPEZGJRSOKRE-KJVDRLPBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.95
Topological Polar Surface Area 21.26
Polarizability 32.25
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1331665-54-3 $168.30-$1,284.18$168.30$1,284.18
Request Quote