Home Other Building Blocks 4-(propan-2-yl)azepane

4-(propan-2-yl)azepane

CAS No.:
1306606-61-0
Catalog Number:
AG01AIES
Molecular Formula:
C9H19N
Molecular Weight:
141.2539
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Product Description
Catalog Number:
AG01AIES
Chemical Name:
4-(propan-2-yl)azepane
CAS Number:
1306606-61-0
Molecular Formula:
C9H19N
Molecular Weight:
141.2539
MDL Number:
MFCD18839038
IUPAC Name:
4-propan-2-ylazepane
InChI:
InChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChI Key:
PERQRFSWSFUTEO-UHFFFAOYSA-N
SMILES:
CC(C1CCNCCC1)C
Properties
Complexity:
88.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.152g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.258g/mol
Monoisotopic Mass:
141.152g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties