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87556-53-4 | 1,3-Propanediamine, N-(4-aminobutylidene)-
CAS No: 87556-53-4 Catalog No: AG004RLN MDL No:
Product Description
Catalog Number:
AG004RLN
Chemical Name:
1,3-Propanediamine, N-(4-aminobutylidene)-
CAS Number:
87556-53-4
Molecular Formula:
C7H17N3
Molecular Weight:
143.2300
IUPAC Name:
4-(3-aminopropylimino)butan-1-amine
InChI:
InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2
InChI Key:
YAVLYBVKPXLZEQ-UHFFFAOYSA-N
SMILES:
NCCCN=CCCCN
Properties
Complexity:
80.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.142g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.234g/mol
Monoisotopic Mass:
143.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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