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Home > Other Building Blocks > 905784-74-9
905784-74-9 | "3-butyl-4-imino-1,2,3,4-tetrahydroquinazolin-2-one"
CAS No: 905784-74-9 Catalog No: AG01FMQZ MDL No:MFCD08517851
Product Description
Catalog Number:
AG01FMQZ
Chemical Name:
"3-butyl-4-imino-1,2,3,4-tetrahydroquinazolin-2-one"
CAS Number:
905784-74-9
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD08517851
IUPAC Name:
3-butyl-4-imino-4aH-quinazolin-2-one
InChI:
InChI=1S/C12H15N3O/c1-2-3-8-15-11(13)9-6-4-5-7-10(9)14-12(15)16/h4-7,9,13H,2-3,8H2,1H3
InChI Key:
HJLRPEKOCOGACC-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)[nH]c2c(c1=N)cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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