Home Other Building Blocks 6,6-dimethylazepan-4-one hydrochloride

6,6-dimethylazepan-4-one hydrochloride

CAS No.:
2031268-83-2
Catalog Number:
AG01BUWT
Molecular Formula:
C8H16ClNO
Molecular Weight:
177.6717
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Product Description
Catalog Number:
AG01BUWT
Chemical Name:
6,6-dimethylazepan-4-one hydrochloride
CAS Number:
2031268-83-2
Molecular Formula:
C8H16ClNO
Molecular Weight:
177.6717
MDL Number:
MFCD30345425
IUPAC Name:
6,6-dimethylazepan-4-one;hydrochloride
InChI:
InChI=1S/C8H15NO.ClH/c1-8(2)5-7(10)3-4-9-6-8;/h9H,3-6H2,1-2H3;1H
InChI Key:
XZGROKHEXJNTHN-UHFFFAOYSA-N
SMILES:
O=C1CCNCC(C1)(C)C.Cl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.092g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.672g/mol
Monoisotopic Mass:
177.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties