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1256815-07-2 | 1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 1,4-bis(1,1-dimethylethyl) ester
CAS No: 1256815-07-2 Catalog No: AG000OFJ MDL No:MFCD24471267
Product Description
Catalog Number:
AG000OFJ
Chemical Name:
1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 1,4-bis(1,1-dimethylethyl) ester
CAS Number:
1256815-07-2
Molecular Formula:
C15H29N3O4
Molecular Weight:
315.4085
MDL Number:
MFCD24471267
IUPAC Name:
ditert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate
InChI:
InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-7-8-18(11(9-16)10-17)13(20)22-15(4,5)6/h11H,7-10,16H2,1-6H3
InChI Key:
XJELTUFOFGNOTB-UHFFFAOYSA-N
SMILES:
NCC1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.216g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.414g/mol
Monoisotopic Mass:
315.216g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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