Home Carboxys 1,4-dimethyl-1,4-diazepane-6-carboxylic acid dihydrochloride

1,4-dimethyl-1,4-diazepane-6-carboxylic acid dihydrochloride

CAS No.:
2044714-08-9
Catalog Number:
AG01BXGS
Molecular Formula:
C8H18Cl2N2O2
Molecular Weight:
245.1467
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Product Description
Catalog Number:
AG01BXGS
Chemical Name:
1,4-dimethyl-1,4-diazepane-6-carboxylic acid dihydrochloride
CAS Number:
2044714-08-9
Molecular Formula:
C8H18Cl2N2O2
Molecular Weight:
245.1467
MDL Number:
MFCD30487797
IUPAC Name:
1,4-dimethyl-1,4-diazepane-6-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C8H16N2O2.2ClH/c1-9-3-4-10(2)6-7(5-9)8(11)12;;/h7H,3-6H2,1-2H3,(H,11,12);2*1H
InChI Key:
WBNMFCFNIHLHDS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC(C1)C(=O)O)C.Cl.Cl
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.144g/mol
Monoisotopic Mass:
244.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties