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Home > Aldehydes > 1564884-61-2
1564884-61-2 | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1564884-61-2 Catalog No: AG01C8PH MDL No:MFCD26866306
Product Description
Catalog Number:
AG01C8PH
Chemical Name:
4-(4-METHYL-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1564884-61-2
Molecular Formula:
C11H16N2OS
Molecular Weight:
224.3225
MDL Number:
MFCD26866306
IUPAC Name:
4-(4-methyl-1,4-diazepan-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H16N2OS/c1-12-3-2-4-13(6-5-12)10-7-11(8-14)15-9-10/h7-9H,2-6H2,1H3
InChI Key:
XCBPQMFPGYBDQZ-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCCN(CC1)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.322g/mol
Monoisotopic Mass:
224.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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