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tert-butyl N-{3-[(dimethylamino)methylidene]-4-oxocyclohexyl}carbamate

tert-butyl N-{3-[(dimethylamino)methylidene]-4-oxocyclohexyl}carbamate

CAS: 1171130-67-8

Formula: C14H24N2O3

SMILES: CN(C)C=C1CC(CCC1=O)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{3-[(dimethylamino)methylidene]-4-oxocyclohexyl}carbamate

InChI: InChI=1/C14H24N2O3/c1-14(2,3)19-13(18)15-11-6-7-12(17)10(8-11)9-16(4)5/h9,11H,6-8H2,1-5H3,(H,15,18)

Composition: C (62.66%), H (9.01%), N (10.44%), O (17.89%)

Molar Mass: 268.357

Atom Count: 43

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 268.178692641
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JYWATPVKXAPTLI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.53
Topological Polar Surface Area 58.64
Polarizability 28.67
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1171130-67-8 $184.00-$1,092.50$184.00$649.75$1,092.50
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