CAS 768-91-2 | 1-Methyladamantane | CAS Number 768-91-2

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768-91-2 | 1-Methyladamantane

CAS No: 768-91-2 Catalog No: AG00366D MDL No:MFCD29712085

Product Description

Catalog Number:

AG00366D

Chemical Name:

1-Methyladamantane

CAS Number:

768-91-2

Molecular Formula:

C11H18

Molecular Weight:

150.2606

MDL Number:

MFCD29712085

IUPAC Name:

1-methyladamantane

InChI:

InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3

InChI Key:

UZUCFTVAWGRMTQ-UHFFFAOYSA-N

SMILES:

CC12CC3CC(C2)CC(C1)C3

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.265g/mol

Monoisotopic Mass:

150.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
1-(Bromo-meth-yl)adamantane.	Acta crystallographica. Section E, Structure reports online 20110701
Synthesis of modified 4H-1,2,4-benzothiadiazine-1,1-dioxides and determination of their affinity and selectivity for different types of K(ATP) channels.	ChemMedChem 20091101
Synthesis and antibacterial activity of 5-adamantan-1-yl-methyl analogues of trimethoprim.	Acta poloniae pharmaceutica 20060101
Synthesis, evaluation and QSAR studies of highly potent aromatase inhibitors of the piperidinedione type.	Anti-cancer drug design 20010201