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147081-80-9 | Carbamic acid, 1-piperazinyl-, 1,1-dimethylethyl ester (9CI)
CAS No: 147081-80-9 Catalog No: AG001EKJ MDL No:MFCD11840387
Product Description
Catalog Number:
AG001EKJ
Chemical Name:
Carbamic acid, 1-piperazinyl-, 1,1-dimethylethyl ester (9CI)
CAS Number:
147081-80-9
Molecular Formula:
C9H19N3O2
Molecular Weight:
201.2661
MDL Number:
MFCD11840387
IUPAC Name:
tert-butyl N-piperazin-1-ylcarbamate
InChI:
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChI Key:
MHKPBRDUFKYAGW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NN1CCNCC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.148g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.27g/mol
Monoisotopic Mass:
201.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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