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306-67-2 | 1,4-Butanediamine, N1,N4-bis(3-aminopropyl)-, hydrochloride (1:4)
CAS No: 306-67-2 Catalog No: AG0030NR MDL No:MFCD00012914
Product Description
Catalog Number:
AG0030NR
Chemical Name:
1,4-Butanediamine, N1,N4-bis(3-aminopropyl)-, hydrochloride (1:4)
CAS Number:
306-67-2
Molecular Formula:
C10H30Cl4N4
Molecular Weight:
348.1840
MDL Number:
MFCD00012914
IUPAC Name:
N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride
InChI:
InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
InChI Key:
XLDKUDAXZWHPFH-UHFFFAOYSA-N
SMILES:
NCCCNCCCCNCCCN.Cl.Cl.Cl.Cl
EC Number:
206-189-8
UNII:
9CI1570O48
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
348.178g/mol
Monoisotopic Mass:
346.122g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Targeting the polyamine transport system with benzazepine- and azepine-polyamine conjugates. | Journal of medicinal chemistry 20101111 |
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