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tert-butyl N-[(4-tert-butylphenyl)(cyano)methyl]carbamate

tert-butyl N-[(4-tert-butylphenyl)(cyano)methyl]carbamate

CAS: 774225-35-3

Formula: C17H24N2O2

SMILES: CC(C)(C)OC(=O)NC(C#N)C1=CC=C(C=C1)C(C)(C)C

IUPAC: tert-butyl N-[(4-tert-butylphenyl)(cyano)methyl]carbamate

InChI: InChI=1/C17H24N2O2/c1-16(2,3)13-9-7-12(8-10-13)14(11-18)19-15(20)21-17(4,5)6/h7-10,14H,1-6H3,(H,19,20)

Composition: C (70.80%), H (8.39%), N (9.71%), O (11.10%)

Molar Mass: 288.391

Atom Count: 45

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 288.183778021
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NHRAQTVNXGEHMF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.88
Topological Polar Surface Area 62.12
Polarizability 32.24
Ring Count 1
Rotatable Bond Count 5

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 774225-35-3 $102.06-$2,109.24$102.06$187.11$374.22$1,122.66$2,109.24
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