3-(Boc-amino)azepane - CAS 454451-26-4
Catalog: |
BB025868 |
Product Name: |
3-(Boc-amino)azepane |
CAS: |
454451-26-4 |
Synonyms: |
N-(3-azepanyl)carbamic acid tert-butyl ester; tert-butyl N-(azepan-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(azepan-3-yl)carbamate |
Description: | 3-(Boc-amino)azepane (CAS# 454451-26-4) is a useful research chemical. |
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) |
InChI Key: | NZEPWAXJSWYEDV-UHFFFAOYSA-N |
LogP: | 2.37290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020242245-A1 | Phthalazinone compounds and use thereof | 20190529 |
WO-2020150385-A1 | Antimicrobial compounds and methods | 20190116 |
WO-2020083878-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
CN-112867715-A | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
EP-3870582-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Related Functional Groups
Amines and Anilines
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