Home Other Building Blocks 2,6-dimethylazepane, Mixture of diastereomers

2,6-dimethylazepane, Mixture of diastereomers

CAS No.:
1314920-15-4
Catalog Number:
AG01AKZH
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
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Product Description
Catalog Number:
AG01AKZH
Chemical Name:
2,6-dimethylazepane, Mixture of diastereomers
CAS Number:
1314920-15-4
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
MDL Number:
MFCD19226773
IUPAC Name:
2,6-dimethylazepane
InChI:
InChI=1S/C8H17N/c1-7-4-3-5-8(2)9-6-7/h7-9H,3-6H2,1-2H3
InChI Key:
VLFIHSMLNPGTQG-UHFFFAOYSA-N
SMILES:
CC1CCCC(CN1)C
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.231g/mol
Monoisotopic Mass:
127.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties