Home Nitriles 2-Adamantanecarbonitrile

2-Adamantanecarbonitrile

CAS No.:
35856-00-9
Catalog Number:
AG00CNZX
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
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Product Description
Catalog Number:
AG00CNZX
Chemical Name:
2-Adamantanecarbonitrile
CAS Number:
35856-00-9
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD03105191
IUPAC Name:
adamantane-2-carbonitrile
InChI:
InChI=1S/C11H15N/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-5H2
InChI Key:
KHCMWKSXPURXRL-UHFFFAOYSA-N
SMILES:
N#CC1C2CC3CC1CC(C2)C3
Properties
Complexity:
219  
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:
3  
Properties