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113812-15-0 | 1,4-Butanediamine, N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4)
CAS No: 113812-15-0 Catalog No: AG0009RE MDL No:
Product Description
Catalog Number:
AG0009RE
Chemical Name:
1,4-Butanediamine, N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4)
CAS Number:
113812-15-0
Molecular Formula:
C14H38Cl4N4
Molecular Weight:
404.2903
IUPAC Name:
N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine;tetrahydrochloride
InChI:
InChI=1S/C14H34N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-14H2,1-2H3;4*1H
InChI Key:
SCYOBNRPMHJGLB-UHFFFAOYSA-N
SMILES:
CCNCCCNCCCCNCCCNCC.Cl.Cl.Cl.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.182g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
404.286g/mol
Monoisotopic Mass:
402.185g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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