Home Carboxys methyl 1-methyl-1,4-diazepane-6-carboxylate

methyl 1-methyl-1,4-diazepane-6-carboxylate

CAS No.:
1417898-92-0
Catalog Number:
AG01ANG4
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
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Product Description
Catalog Number:
AG01ANG4
Chemical Name:
methyl 1-methyl-1,4-diazepane-6-carboxylate
CAS Number:
1417898-92-0
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
MDL Number:
MFCD29054855
IUPAC Name:
methyl 1-methyl-1,4-diazepane-6-carboxylate
InChI:
InChI=1S/C8H16N2O2/c1-10-4-3-9-5-7(6-10)8(11)12-2/h7,9H,3-6H2,1-2H3
InChI Key:
KYOKOQXQXBOPEG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCCN(C1)C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties