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867065-85-8 | tert-Butyl tetrahydropyrimidine-1(2H);-carboxylate
CAS No: 867065-85-8 Catalog No: AG004KJE MDL No:MFCD08234522
Product Description
Catalog Number:
AG004KJE
Chemical Name:
tert-Butyl tetrahydropyrimidine-1(2H);-carboxylate
CAS Number:
867065-85-8
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD08234522
IUPAC Name:
tert-butyl 1,3-diazinane-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-5-10-7-11/h10H,4-7H2,1-3H3
InChI Key:
DSAFUUFVQNUZMS-UHFFFAOYSA-N
SMILES:
O=C(N1CCCNC1)OC(C)(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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