3-(Boc-aminomethyl)azetidine - CAS 91188-15-7
Catalog: |
BB040074 |
Product Name: |
3-(Boc-aminomethyl)azetidine |
CAS: |
91188-15-7 |
Synonyms: |
N-(3-azetidinylmethyl)carbamic acid tert-butyl ester; tert-butyl N-(azetidin-3-ylmethyl)carbamate |
IUPAC Name: | tert-butyl N-(azetidin-3-ylmethyl)carbamate |
Description: | 3-(Boc-aminomethyl)azetidine (CAS# 91188-15-7) is a derivative of Azetidine (A813000); a useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties. |
Molecular Weight: | 186.25 |
Molecular Formula: | C9H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1CNC1 |
InChI: | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12) |
InChI Key: | MOLUHRBHXXGWDP-UHFFFAOYSA-N |
Boiling Point: | 285.5 °C at 760 mmHg |
Density: | 1.018 g/cm3 |
Appearance: | White powder |
LogP: | 1.45020 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149977-A | Synthesis and application of respiratory syncytial virus inhibitor | 20200122 |
WO-2021147947-A1 | Synthesis and use of class of respiratory syncytial virus inhibitors | 20200122 |
KR-20210093155-A | Novel compound, preparation method thereof, and use thereof | 20200117 |
WO-2021127397-A1 | Nitrogen heterocyclic compounds and methods of use | 20191219 |
WO-2021097061-A1 | Antimicrobial compounds and methods | 20191113 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Amines and Anilines
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