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87556-54-5 | Butanal, 4-[(4-aminobutylidene)amino]-
CAS No: 87556-54-5 Catalog No: AG004MNR MDL No:
Product Description
Catalog Number:
AG004MNR
Chemical Name:
Butanal, 4-[(4-aminobutylidene)amino]-
CAS Number:
87556-54-5
Molecular Formula:
C8H16N2O
Molecular Weight:
156.2254
IUPAC Name:
4-(4-aminobutylideneamino)butanal
InChI:
InChI=1S/C8H16N2O/c9-5-1-2-6-10-7-3-4-8-11/h6,8H,1-5,7,9H2
InChI Key:
MEDMNKWJAUNQMT-UHFFFAOYSA-N
SMILES:
NCCCC=NCCCC=O
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.229g/mol
Monoisotopic Mass:
156.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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