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Home Other Building Blocks 1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride

1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride

CAS No.:
1955507-38-6
Catalog Number:
AG01B5PD
Molecular Formula:
C10H21ClN2O
Molecular Weight:
220.7395
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Product Description
Catalog Number:
AG01B5PD
Chemical Name:
1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride
CAS Number:
1955507-38-6
Molecular Formula:
C10H21ClN2O
Molecular Weight:
220.7395
MDL Number:
MFCD30181182
IUPAC Name:
1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;hydrochloride
InChI:
InChI=1S/C10H20N2O.ClH/c1-9(2)8-10(13)12-6-3-4-11-5-7-12;/h9,11H,3-8H2,1-2H3;1H
InChI Key:
DUCZTQGWFCMLLN-UHFFFAOYSA-N
SMILES:
CC(CC(=O)N1CCNCCC1)C.Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.134g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.741g/mol
Monoisotopic Mass:
220.134g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties