3-[2-(Boc-amino)ethyl]azetidine Hydrochloride - CAS 1170905-43-7
Catalog: |
BB003843 |
Product Name: |
3-[2-(Boc-amino)ethyl]azetidine Hydrochloride |
CAS: |
1170905-43-7 |
Synonyms: |
N-[2-(3-azetidinyl)ethyl]carbamic acid tert-butyl ester;hydrochloride; tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;hydrochloride |
IUPAC Name: | tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;hydrochloride |
Description: | 3-[2-(Boc-amino)ethyl]azetidine Hydrochloride (CAS# 1170905-43-7) is a useful research chemical. |
Molecular Weight: | 236.74 |
Molecular Formula: | C10H21ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC1CNC1.Cl |
InChI: | InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-5-4-8-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H |
InChI Key: | QIMXDYCKJPAYNW-UHFFFAOYSA-N |
LogP: | 2.45580 |
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 |
Publication Number | Title | Priority Date |
WO-2020150385-A1 | Antimicrobial compounds and methods | 20190116 |
AU-2018240418-A1 | Chemical compounds as antibiotics | 20170321 |
CA-3056815-A1 | Chemical compounds as antibiotics | 20170321 |
CN-110914238-A | Compounds as antibiotics | 20170321 |
EP-3601224-A1 | Chemical compounds as antibiotics | 20170321 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1291556 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1291556 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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