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1-[(2-chlorophenyl)methyl]-1,4-diazepane

1-[(2-chlorophenyl)methyl]-1,4-diazepane

CAS: 76141-88-3

Formula: C12H17ClN2

SMILES: ClC1=C(CN2CCCNCC2)C=CC=C1

IUPAC: 1-[(2-chlorophenyl)methyl]-1,4-diazepane

InChI: InChI=1S/C12H17ClN2/c13-12-5-2-1-4-11(12)10-15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-10H2

Composition: C (64.14%), H (7.63%), Cl (15.77%), N (12.47%)

Molar Mass: 224.73

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.1080263
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FTMQQFQWZMWCMG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.03
Topological Polar Surface Area 15.27
Polarizability 25.57
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 76141-88-3 $51.35-$374.73$51.35$63.37$86.31$374.73
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