7-Amino-2,3-dihydro-1,4,-benzoxazepine 1,1-Dimethyl Ester - CAS 1205750-08-8
Catalog: |
BB074888 |
Product Name: |
7-Amino-2,3-dihydro-1,4,-benzoxazepine 1,1-Dimethyl Ester |
CAS: |
1205750-08-8 |
Synonyms: |
tert-Butyl 7-amino-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate; tert-Butyl 7-amino-2,3-dihydro-5H-benzo[f][1,4]oxazepine-4-carboxylate; 7-Amino-2,3-dihydro-1,4,-benzoxazepine 1,1-Dimethyl Ester; TERT-BUTYL 7-AMINO-3,5-DIHYDRO-2H-1,4-BENZOXAZEPINE-4-CARBOXYLATE; tert-Butyl 7-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate |
IUPAC Name: | tert-butyl 7-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate |
Molecular Weight: | 264.32 |
Molecular Formula: | C14H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)N |
InChI: | InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9,15H2,1-3H3 |
InChI Key: | IIESDUMHEUGJGF-UHFFFAOYSA-N |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.1473925 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.1473925 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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