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194032-35-4 | tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
CAS No: 194032-35-4 Catalog No: AG003E1B MDL No:MFCD11616041
Product Description
Catalog Number:
AG003E1B
Chemical Name:
tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
CAS Number:
194032-35-4
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD11616041
IUPAC Name:
tert-butyl 3-methyl-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key:
GDTFCUXOVITPHU-UHFFFAOYSA-N
SMILES:
CC1NCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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