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adamantan-1-ylurea

adamantan-1-ylurea

CAS: 13072-69-0

Formula: C11H18N2O

SMILES: NC(=O)NC12CC3CC(CC(C3)C1)C2

IUPAC: (adamantan-1-yl)urea

InChI: InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)

Composition: C (68.01%), H (9.34%), N (14.42%), O (8.24%)

Molar Mass: 194.278

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 194.141913208
Formal Charge 0
FSP3 0.91
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey QYYHPAUOLCHORH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.66
Topological Polar Surface Area 55.12
Polarizability 21.15
Ring Count 3
Rotatable Bond Count 1

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Life Chemicals USA, Inc.
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