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113812-11-6 | 1,4-Butanediamine, N1,N4-bis[3-(diethylamino)propyl]-
CAS No: 113812-11-6 Catalog No: AG0009RF MDL No:
Product Description
Catalog Number:
AG0009RF
Chemical Name:
1,4-Butanediamine, N1,N4-bis[3-(diethylamino)propyl]-
CAS Number:
113812-11-6
Molecular Formula:
C18H42N4
Molecular Weight:
314.5529
IUPAC Name:
N,N'-bis[3-(diethylamino)propyl]butane-1,4-diamine
InChI:
InChI=1S/C18H42N4/c1-5-21(6-2)17-11-15-19-13-9-10-14-20-16-12-18-22(7-3)8-4/h19-20H,5-18H2,1-4H3
InChI Key:
DLZJAFZWCIIMLO-UHFFFAOYSA-N
SMILES:
CCN(CCCNCCCCNCCCN(CC)CC)CC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.341g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.562g/mol
Monoisotopic Mass:
314.341g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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