Home Carboxys 1,4-diazepane-2-carboxylic acid dihydrobromide

1,4-diazepane-2-carboxylic acid dihydrobromide

CAS No.:
1803570-17-3
Catalog Number:
AG01BA1M
Molecular Formula:
C6H14Br2N2O2
Molecular Weight:
305.9956
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Product Description
Catalog Number:
AG01BA1M
Chemical Name:
1,4-diazepane-2-carboxylic acid dihydrobromide
CAS Number:
1803570-17-3
Molecular Formula:
C6H14Br2N2O2
Molecular Weight:
305.9956
MDL Number:
MFCD28397476
IUPAC Name:
1,4-diazepane-2-carboxylic acid;dihydrobromide
InChI:
InChI=1S/C6H12N2O2.2BrH/c9-6(10)5-4-7-2-1-3-8-5;;/h5,7-8H,1-4H2,(H,9,10);2*1H
InChI Key:
JXKDPZBVRJEHBL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNCCCN1.Br.Br
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.94g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
305.998g/mol
Monoisotopic Mass:
303.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties