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tert-butyl N-{[3-(aminomethyl)phenyl]methyl}-N-methylcarbamate

tert-butyl N-{[3-(aminomethyl)phenyl]methyl}-N-methylcarbamate

CAS: 954238-64-3

Formula: C14H22N2O2

SMILES: CN(CC1=CC=CC(CN)=C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl N-{[3-(aminomethyl)phenyl]methyl}-N-methylcarbamate

InChI: InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)10-12-7-5-6-11(8-12)9-15/h5-8H,9-10,15H2,1-4H3

Composition: C (67.17%), H (8.86%), N (11.19%), O (12.78%)

Molar Mass: 250.342

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.168127956
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NSWMUHXPUGRFPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.77
Topological Polar Surface Area 55.56
Polarizability 28.48
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 954238-64-3 $126.50-$1,370.80$126.50$143.75$171.35$227.70$342.70$1,370.80
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