Home Nitriles Adamantane-1-carbonitrile

Adamantane-1-carbonitrile

CAS No.:
23074-42-2
Catalog Number:
AG002M5K
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$164
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5g
In Stock USA
United States
$351
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Product Description
Catalog Number:
AG002M5K
Chemical Name:
Adamantane-1-carbonitrile
CAS Number:
23074-42-2
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD00074731
IUPAC Name:
adamantane-1-carbonitrile
InChI:
InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChI Key:
FQFZASRJFRAEIH-UHFFFAOYSA-N
SMILES:
N#CC12CC3CC(C2)CC(C1)C3
EC Number:
245-413-9
NSC Number:
137842
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Alpha-relaxation dynamics of orientanionally disordered mixed crystals composed of Cl-adamantane and CN-adamantane. The Journal of chemical physics 20100428
Adamantane-1-thio-amide. Acta crystallographica. Section E, Structure reports online 20090801
Calcium carbene complexes with boranophosphorano side-arms: CaC[P(Ph)(2)BH(3)](2). Dalton transactions (Cambridge, England : 2003) 20090428
Electronic and steric effects in binding of deep cavitands. Organic letters 20081204
Study of secondary relaxation in disordered plastic crystals of isocyanocyclohexane, cyanocyclohexane, and 1-cyanoadamantane. The Journal of chemical physics 20080907
Synthesis and structures of crystalline Li, Al and Sn(II) 1-azaallyls and beta-diketiminates derived from [Li{mu,eta3-N(SiMe3)C(Ad)C(H)SiMe3}]2 (Ad = 1-adamantyl). Dalton transactions (Cambridge, England : 2003) 20080714
Relaxation dynamics of orientationally disordered plastic crystals: effect of dopants. The journal of physical chemistry. B 20080214
Influence of phase transformation on the low temperature dielectric measurements in 1-cyanoadamantane. The Journal of chemical physics 20080114
2H nuclear magnetic resonance study on the molecular motion in cyanoadamantane. II. Orientationally ordered and glassy crystalline phase. The Journal of chemical physics 20070107
Synthesis, structure, and reactivity of a stabilized calcium carbene: R(2)CCa. Journal of the American Chemical Society 20061115
Nuclear magnetic resonance and dielectric investigations of molecular motions in a glassy crystal: the mixed compound (CN-adm)0.75(Cl-adm)0.25. The Journal of chemical physics 20050115
2H nuclear magnetic resonance study of the molecular motion in cyanoadamantane. I. Supercooled plastically crystalline phase. The Journal of chemical physics 20040908
Properties