1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoate Monoacetate - CAS 170749-59-4
Catalog: |
BB012668 |
Product Name: |
1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoate Monoacetate |
CAS: |
170749-59-4 |
Synonyms: |
acetic acid;3-amino-3-iminopropanoic acid [1-(diphenylmethyl)-3-azetidinyl] ester; acetic acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate |
IUPAC Name: | acetic acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate |
Description: | 1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoate Monoacetate (CAS# 170749-59-4) is a useful research chemical. |
Molecular Weight: | 383.44 |
Molecular Formula: | C21H25N3O4 |
Canonical SMILES: | CC(=O)O.C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CC(=N)N |
InChI: | InChI=1S/C19H21N3O2.C2H4O2/c20-17(21)11-18(23)24-16-12-22(13-16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-2(3)4/h1-10,16,19H,11-13H2,(H3,20,21);1H3,(H,3,4) |
InChI Key: | DCGRISOXIFQLPD-UHFFFAOYSA-N |
MDL: | MFCD09032928 |
LogP: | 3.15830 |
Publication Number | Title | Priority Date |
CN-103130700-A | Preparation method of azelnidipine intermediate | 20130314 |
CN-103130700-B | Preparation method of azelnidipine intermediate | 20130314 |
WO-2014139410-A1 | Method for preparing intermediate of azelnidipine | 20130314 |
JP-2010189293-A | Method for producing 1,4-dihydropyridine derivative | 20090217 |
JP-5463051-B2 | Method for producing 1,4-dihydropyridine derivative | 20090217 |
Complexity: | 449 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 383.18450629 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 383.18450629 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 117 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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