[2-(Methylamino)-3-pyridyl]methyl 2-[Boc(methyl)amino]acetate - CAS 1180002-01-0
Catalog: |
BB004039 |
Product Name: |
[2-(Methylamino)-3-pyridyl]methyl 2-[Boc(methyl)amino]acetate |
CAS: |
1180002-01-0 |
Synonyms: |
2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid [2-(methylamino)-3-pyridinyl]methyl ester; [2-(methylamino)pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate |
IUPAC Name: | [2-(methylamino)pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate |
Description: | [2-(Methylamino)-3-pyridyl]methyl 2-[Boc(methyl)amino]acetate (CAS# 1180002-01-0) is a useful research chemical. |
Molecular Weight: | 309.36 |
Molecular Formula: | C15H23N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CC(=O)OCC1=C(N=CC=C1)NC |
InChI: | InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18(5)9-12(19)21-10-11-7-6-8-17-13(11)16-4/h6-8H,9-10H2,1-5H3,(H,16,17) |
InChI Key: | SREJHHORJXVQGX-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 ℃ |
LogP: | 2.10640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P270, P280, P302+P352, P305+P351+P338, P309+P311, P321, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021011513-A1 | Prodrugs in the modulation of interleukin | 20190716 |
EP-3858814-A1 | Nitroxoline prodrug and use thereof | 20180929 |
KR-20210070320-A | Nitroxoline prodrugs and uses thereof | 20180929 |
US-2021070698-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180105 |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.16885622 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.16885622 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 80.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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