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Home > Aldehydes > 1339348-75-2
1339348-75-2 | 2-(AZEPAN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 1339348-75-2 Catalog No: AG01C8QK MDL No:MFCD16868777
Product Description
Catalog Number:
AG01C8QK
Chemical Name:
2-(AZEPAN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1339348-75-2
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
MDL Number:
MFCD16868777
IUPAC Name:
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H15N3O/c15-9-10-7-12-11(13-8-10)14-5-3-1-2-4-6-14/h7-9H,1-6H2
InChI Key:
IJZCKNJSMXSDTC-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CCCCCC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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