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2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

CAS: 904815-69-6

Formula: C16H18N2O

SMILES: COC1=C(C=CC=C1)C1CCNC2=C(N1)C=CC=C2

IUPAC: 2-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

InChI: InChI=1/C16H18N2O/c1-19-16-9-5-2-6-12(16)13-10-11-17-14-7-3-4-8-15(14)18-13/h2-9,13,17-18H,10-11H2,1H3

Composition: C (75.56%), H (7.13%), N (11.01%), O (6.29%)

Molar Mass: 254.333

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 254.141913208
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FRMSRQNSBOFNHL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.09
Topological Polar Surface Area 33.29
Polarizability 29.53
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
% <14 Days 904815-69-6 $170.10-$1,275.75$170.10$1,275.75
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