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88472-66-6 | 1,3-Butanediamine, N,N'-bis(3-methylphenyl)-
CAS No: 88472-66-6 Catalog No: AG004AB5 MDL No:
Product Description
Catalog Number:
AG004AB5
Chemical Name:
1,3-Butanediamine, N,N'-bis(3-methylphenyl)-
CAS Number:
88472-66-6
Molecular Formula:
C18H24N2
Molecular Weight:
268.3966
IUPAC Name:
1-N,3-N-bis(3-methylphenyl)butane-1,3-diamine
InChI:
InChI=1S/C18H24N2/c1-14-6-4-8-17(12-14)19-11-10-16(3)20-18-9-5-7-15(2)13-18/h4-9,12-13,16,19-20H,10-11H2,1-3H3
InChI Key:
RVLWROYHWWPCND-UHFFFAOYSA-N
SMILES:
CC(Nc1cccc(c1)C)CCNc1cccc(c1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.404g/mol
Monoisotopic Mass:
268.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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