Home Other Building Blocks 3,3-dimethylazepane

3,3-dimethylazepane

CAS No.:
54152-50-0
Catalog Number:
AG01AGBO
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
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Product Description
Catalog Number:
AG01AGBO
Chemical Name:
3,3-dimethylazepane
CAS Number:
54152-50-0
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
MDL Number:
MFCD22395547
IUPAC Name:
3,3-dimethylazepane
InChI:
InChI=1S/C8H17N/c1-8(2)5-3-4-6-9-7-8/h9H,3-7H2,1-2H3
InChI Key:
MCJWZDIFFOGAJS-UHFFFAOYSA-N
SMILES:
CC1(C)CCCCNC1
Properties
Complexity:
86.6  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties