Text Search
Structure Search

tert-butyl N-(4-ethynylphenyl)-N-methylcarbamate

tert-butyl N-(4-ethynylphenyl)-N-methylcarbamate

CAS: 1246094-14-3

Formula: C14H17NO2

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

IUPAC: tert-butyl N-(4-ethynylphenyl)-N-methylcarbamate

InChI: InChI=1S/C14H17NO2/c1-6-11-7-9-12(10-8-11)15(5)13(16)17-14(2,3)4/h1,7-10H,2-5H3

Composition: C (72.70%), H (7.41%), N (6.06%), O (13.83%)

Molar Mass: 231.295

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.125928791
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HMPCDHZPSSMDNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.64
Topological Polar Surface Area 29.54
Polarizability 25.84
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1246094-14-3 $138.24-$311.04$138.24$207.36$311.04
Request Quote