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1638743-92-6 | 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-7-methyl-, 1,1-dimethylethyl ester, (7R)-
CAS No: 1638743-92-6 Catalog No: AG001UGT MDL No:MFCD27986952
Product Description
Catalog Number:
AG001UGT
Chemical Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-7-methyl-, 1,1-dimethylethyl ester, (7R)-
CAS Number:
1638743-92-6
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD27986952
IUPAC Name:
tert-butyl (7R)-7-methyl-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-9-5-6-12-7-8-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChI Key:
DUYDMHWWVXLFDB-SECBINFHSA-N
SMILES:
C[C@@H]1CCNCCN1C(=O)OC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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