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benzyl N-[(dimethylcarbamoyl)methyl]carbamate

benzyl N-[(dimethylcarbamoyl)methyl]carbamate

CAS: 167303-60-8

Formula: C12H16N2O3

SMILES: CN(C)C(=O)CNC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[(dimethylcarbamoyl)methyl]carbamate

InChI: InChI=1S/C12H16N2O3/c1-14(2)11(15)8-13-12(16)17-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,16)

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.116092383
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZBXKXNUETNSWGE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.3
Topological Polar Surface Area 58.64
Polarizability 24.5
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 167303-60-8 $50.44-$427.48$50.44$123.58$427.48
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