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1174020-26-8 | 1H-Azepine-1-carboxylic acid, 4-aminohexahydro-, 1,1-dimethylethyl ester, (4R)-
CAS No: 1174020-26-8 Catalog No: AG000E8M MDL No:MFCD16294633
Product Description
Catalog Number:
AG000E8M
Chemical Name:
1H-Azepine-1-carboxylic acid, 4-aminohexahydro-, 1,1-dimethylethyl ester, (4R)-
CAS Number:
1174020-26-8
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD16294633
IUPAC Name:
tert-butyl (4R)-4-aminoazepane-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChI Key:
YCOKHOLOSGJEGL-SECBINFHSA-N
SMILES:
N[C@@H]1CCCN(CC1)C(=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:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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