(S)-tert-Butyl azepan-3-ylcarbamate - CAS 213990-48-8
Catalog: |
BB054524 |
Product Name: |
(S)-tert-Butyl azepan-3-ylcarbamate |
CAS: |
213990-48-8 |
Synonyms: |
(S)-3-Boc-amino-azepane; tert-butyl (3S)-azepan-3-ylcarbamate; (S)-3-N-Boc-aminoazepane |
IUPAC Name: | tert-butyl N-[(3S)-azepan-3-yl]carbamate |
Molecular Weight: | 214.30 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCCCNC1 |
InChI: | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1 |
InChI Key: | NZEPWAXJSWYEDV-VIFPVBQESA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.168127949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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