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1-benzylazepan-3-ol

1-benzylazepan-3-ol

CAS: 148473-84-1

Formula: C13H19NO

SMILES: OC1CCCCN(CC2=CC=CC=C2)C1

IUPAC: 1-benzylazepan-3-ol

InChI: InChI=1/C13H19NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2

Composition: C (76.06%), H (9.33%), N (6.82%), O (7.79%)

Molar Mass: 205.301

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 205.146664236
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KPQNKWPCOMTRHO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.71
Topological Polar Surface Area 23.47
Polarizability 24.65
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 148473-84-1 $143.75-$2,012.50$143.75$171.35$228.85$343.85$572.70$2,012.50
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