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136586-99-7 | Heptanedioic acid, 4-amino-4-[3-(1,1-dimethylethoxy)-3-oxopropyl]-, 1,7-bis(1,1-dimethylethyl) ester
CAS No: 136586-99-7 Catalog No: AG00123W MDL No:MFCD07357283
Product Description
Catalog Number:
AG00123W
Chemical Name:
Heptanedioic acid, 4-amino-4-[3-(1,1-dimethylethoxy)-3-oxopropyl]-, 1,7-bis(1,1-dimethylethyl) ester
CAS Number:
136586-99-7
Molecular Formula:
C22H41NO6
Molecular Weight:
415.5640
MDL Number:
MFCD07357283
IUPAC Name:
ditert-butyl 4-amino-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
InChI:
InChI=1S/C22H41NO6/c1-19(2,3)27-16(24)10-13-22(23,14-11-17(25)28-20(4,5)6)15-12-18(26)29-21(7,8)9/h10-15,23H2,1-9H3
InChI Key:
PFFIXGHIRWJVRO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.293g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.571g/mol
Monoisotopic Mass:
415.293g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Convenient synthesis of 1 --> 3 C-branched dendrons. | The Journal of organic chemistry 20050610 |
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