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tert-butyl N-(2-{[(4-bromophenyl)methyl]amino}ethyl)carbamate

tert-butyl N-(2-{[(4-bromophenyl)methyl]amino}ethyl)carbamate

CAS: 1171245-32-1

Formula: C14H21BrN2O2

SMILES: CC(C)(C)OC(=O)NCCNCC1=CC=C(Br)C=C1

IUPAC: tert-butyl N-(2-{[(4-bromophenyl)methyl]amino}ethyl)carbamate

InChI: InChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-9-8-16-10-11-4-6-12(15)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,17,18)

Composition: C (51.07%), H (6.43%), Br (24.27%), N (8.51%), O (9.72%)

Molar Mass: 329.238

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 328.078641
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SEKSWSYUCLOSGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.75
Topological Polar Surface Area 50.36
Polarizability 31.24
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1171245-32-1 $277.83-$447.93$277.83$447.93
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