Home Nitriles 3-[(adamantan-1-yl)amino]propanenitrile hydrochloride

3-[(adamantan-1-yl)amino]propanenitrile hydrochloride

CAS No.:
81099-47-0
Catalog Number:
AG01EJRS
Molecular Formula:
C13H21ClN2
Molecular Weight:
240.7722
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Product Description
Catalog Number:
AG01EJRS
Chemical Name:
3-[(adamantan-1-yl)amino]propanenitrile hydrochloride
CAS Number:
81099-47-0
Molecular Formula:
C13H21ClN2
Molecular Weight:
240.7722
MDL Number:
MFCD30749880
IUPAC Name:
3-(1-adamantylamino)propanenitrile;hydrochloride
InChI:
InChI=1S/C13H20N2.ClH/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,15H,1,3-9H2;1H
InChI Key:
SIJZJFMNQTUQKW-UHFFFAOYSA-N
SMILES:
N#CCCNC12CC3CC(C2)CC(C1)C3.Cl
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.139g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.775g/mol
Monoisotopic Mass:
240.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties