Home Aminos 2-(2-aminobutan-2-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one hydrochloride

2-(2-aminobutan-2-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one hydrochloride

CAS No.:
1333729-35-3
Catalog Number:
AG01AKJB
Molecular Formula:
C12H20ClN3O
Molecular Weight:
257.7597
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Product Description
Catalog Number:
AG01AKJB
Chemical Name:
2-(2-aminobutan-2-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one hydrochloride
CAS Number:
1333729-35-3
Molecular Formula:
C12H20ClN3O
Molecular Weight:
257.7597
MDL Number:
MFCD19982600
IUPAC Name:
2-(2-aminobutan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one;hydrochloride
InChI:
InChI=1S/C12H19N3O.ClH/c1-3-12(2,13)11-14-9-7-5-4-6-8(9)10(16)15-11;/h3-7,13H2,1-2H3,(H,14,15,16);1H
InChI Key:
RSKUEIIYJANANR-UHFFFAOYSA-N
SMILES:
CCC(c1nc2CCCCc2c(=O)[nH]1)(N)C.Cl
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.129g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.762g/mol
Monoisotopic Mass:
257.129g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties