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

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

CAS: 1187929-50-5

Formula: C13H20N2O2

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

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

InChI: InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(4)11-7-5-6-10(8-11)9-14/h5-8H,9,14H2,1-4H3

Composition: C (66.07%), H (8.53%), N (11.85%), O (13.54%)

Molar Mass: 236.315

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.152477892
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WZLCRKYCULAGBY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.94
Topological Polar Surface Area 55.56
Polarizability 26.63
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1187929-50-5 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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