N-(3-aminopropyl)-N-Methylcarbamic acid tert-butyl ester - CAS 150349-36-3
Catalog: |
BB010522 |
Product Name: |
N-(3-aminopropyl)-N-Methylcarbamic acid tert-butyl ester |
CAS: |
150349-36-3 |
Synonyms: |
N-(3-aminopropyl)-N-methylcarbamic acid tert-butyl ester; tert-butyl N-(3-aminopropyl)-N-methylcarbamate |
IUPAC Name: | tert-butyl N-(3-aminopropyl)-N-methylcarbamate |
Description: | tert-Butyl 3-Aminopropyl(methyl) Carbamate acts as a reagent for dihydroquinazoline derivatives preparation and antitumor activities, induction of apoptosis in human lung adenocarcinoma A549 cells by T-type calcium channel antagonist. |
Molecular Weight: | 188.27 |
Molecular Formula: | C9H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CCCN |
InChI: | InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3 |
InChI Key: | PNQYAMWGTGWJDW-UHFFFAOYSA-N |
Boiling Point: | 254.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 0.982 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01631189 |
LogP: | 1.90240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021119834-A1 | Modulators of cullin 3 adaptor kbtbd4 as anti-cancer compounds | 20191218 |
WO-2020254607-A1 | Anti-ctla4 compounds with localized pd properties | 20190621 |
WO-2020254611-A1 | Anti-ctla4 conjugates | 20190621 |
WO-2020254617-A1 | Anti-ctla4 compounds with localized pk properties | 20190621 |
US-2020390899-A1 | Aminobenzazepine compounds, immunoconjugates, and uses thereof | 20190613 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.152477885 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.6 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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