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Home > Aldehydes > 1343859-99-3
1343859-99-3 | 5-(4-METHYL-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1343859-99-3 Catalog No: AG01C8N0 MDL No:MFCD20300194
Product Description
Catalog Number:
AG01C8N0
Chemical Name:
5-(4-METHYL-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1343859-99-3
Molecular Formula:
C11H16N2OS
Molecular Weight:
224.3225
MDL Number:
MFCD20300194
IUPAC Name:
5-(4-methyl-1,4-diazepan-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H16N2OS/c1-12-5-2-6-13(8-7-12)11-4-3-10(9-14)15-11/h3-4,9H,2,5-8H2,1H3
InChI Key:
YRILWGHFGJSPRP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)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:
2
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