Home Other Building Blocks 2-Methyl-1,4-diazepane

2-Methyl-1,4-diazepane

CAS No.:
65974-17-6
Catalog Number:
AG0033DR
Molecular Formula:
C6H14N2
Molecular Weight:
114.1888
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Product Description
Catalog Number:
AG0033DR
Chemical Name:
2-Methyl-1,4-diazepane
CAS Number:
65974-17-6
Molecular Formula:
C6H14N2
Molecular Weight:
114.1888
MDL Number:
MFCD09607987
IUPAC Name:
2-methyl-1,4-diazepane
InChI:
InChI=1S/C6H14N2/c1-6-5-7-3-2-4-8-6/h6-8H,2-5H2,1H3
InChI Key:
KMRLPKVQSAHVSQ-UHFFFAOYSA-N
SMILES:
CC1CNCCCN1
Properties
Complexity:
63.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.116g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
114.192g/mol
Monoisotopic Mass:
114.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties