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173163-37-6 | 1,3-Propanediamine, N1,N3-bis[2,6-bis(1-methylethyl)phenyl]-
CAS No: 173163-37-6 Catalog No: AG001YOH MDL No:
Product Description
Catalog Number:
AG001YOH
Chemical Name:
1,3-Propanediamine, N1,N3-bis[2,6-bis(1-methylethyl)phenyl]-
CAS Number:
173163-37-6
Molecular Formula:
C27H42N2
Molecular Weight:
394.6358
IUPAC Name:
N,N'-bis[2,6-di(propan-2-yl)phenyl]propane-1,3-diamine
InChI:
InChI=1S/C27H42N2/c1-18(2)22-12-9-13-23(19(3)4)26(22)28-16-11-17-29-27-24(20(5)6)14-10-15-25(27)21(7)8/h9-10,12-15,18-21,28-29H,11,16-17H2,1-8H3
InChI Key:
UZTCFZTWINXGNV-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1NCCCNc1c(cccc1C(C)C)C(C)C)C(C)C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.335g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.647g/mol
Monoisotopic Mass:
394.335g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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