Home Halogens 4-(adamantan-1-yl)-2-chloroaniline hydrochloride

4-(adamantan-1-yl)-2-chloroaniline hydrochloride

CAS No.:
1171506-69-6
Catalog Number:
AG019ULI
Molecular Formula:
C16H21Cl2N
Molecular Weight:
298.2506
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Product Description
Catalog Number:
AG019ULI
Chemical Name:
4-(adamantan-1-yl)-2-chloroaniline hydrochloride
CAS Number:
1171506-69-6
Molecular Formula:
C16H21Cl2N
Molecular Weight:
298.2506
MDL Number:
MFCD11809540
IUPAC Name:
4-(1-adamantyl)-2-chloroaniline;hydrochloride
InChI:
InChI=1S/C16H20ClN.ClH/c17-14-6-13(1-2-15(14)18)16-7-10-3-11(8-16)5-12(4-10)9-16;/h1-2,6,10-12H,3-5,7-9,18H2;1H
InChI Key:
IUVHHMOIVXAEBF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Cl)C12CC3CC(C2)CC(C1)C3.Cl
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.105g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.251g/mol
Monoisotopic Mass:
297.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties