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113812-18-3 | 1,4-Butanediamine, N1,N4-bis[3-(methylamino)propyl]-
CAS No: 113812-18-3 Catalog No: AG0009RD MDL No:
Product Description
Catalog Number:
AG0009RD
Chemical Name:
1,4-Butanediamine, N1,N4-bis[3-(methylamino)propyl]-
CAS Number:
113812-18-3
Molecular Formula:
C12H30N4
Molecular Weight:
230.3934
IUPAC Name:
N,N'-bis[3-(methylamino)propyl]butane-1,4-diamine
InChI:
InChI=1S/C12H30N4/c1-13-7-5-11-15-9-3-4-10-16-12-6-8-14-2/h13-16H,3-12H2,1-2H3
InChI Key:
RHMQCHCWNFTZMN-UHFFFAOYSA-N
SMILES:
CNCCCNCCCCNCCCNC
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.247g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
230.4g/mol
Monoisotopic Mass:
230.247g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Metabolically programmed polyamine analogue antidiarrheals. | Journal of medicinal chemistry 19960621 |
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