3-Amino-6-Boc-6-azabenzocycloheptane - CAS 939043-41-1
Catalog: |
BB074974 |
Product Name: |
3-Amino-6-Boc-6-azabenzocycloheptane |
CAS: |
939043-41-1 |
Synonyms: |
tert-Butyl 8-amino-4,5-dihydro-1H-benzo[c]azepine-2(3H)-carboxylate; 3-AMino-6-Boc-6-azabenzocycloheptane; tert-butyl 8-amino-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate; tert-Butyl ester 8-amino-1,3,4,5-tetrahydro-benzo[c]azepine-2-carboxylate; 2-N-Boc-8-amino-2,3,4,5-tetrahydro-1H-benzo[c]azepine |
IUPAC Name: | tert-butyl 8-amino-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate |
Molecular Weight: | 262.35 |
Molecular Formula: | C15H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC2=C(C1)C=C(C=C2)N |
InChI: | InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-4-5-11-6-7-13(16)9-12(11)10-17/h6-7,9H,4-5,8,10,16H2,1-3H3 |
InChI Key: | SGTDQRPCUHNRFJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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