Home Other Building Blocks 1,4-dioxepan-6-amine hydrochloride

1,4-dioxepan-6-amine hydrochloride

CAS No.:
1394042-38-6
Catalog Number:
AG01A00V
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
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Product Description
Catalog Number:
AG01A00V
Chemical Name:
1,4-dioxepan-6-amine hydrochloride
CAS Number:
1394042-38-6
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD22378607
IUPAC Name:
1,4-dioxepan-6-amine;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c6-5-3-7-1-2-8-4-5;/h5H,1-4,6H2;1H
InChI Key:
XKKCZGYGBFKDQY-UHFFFAOYSA-N
SMILES:
NC1COCCOC1.Cl
Properties
Complexity:
59.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties