Methyl 3-Amino-3-phenylpropanoate - CAS 14898-52-3
Catalog: |
BB010359 |
Product Name: |
Methyl 3-Amino-3-phenylpropanoate |
CAS: |
14898-52-3 |
Synonyms: |
3-amino-3-phenylpropanoic acid methyl ester; methyl 3-amino-3-phenylpropanoate |
IUPAC Name: | methyl 3-amino-3-phenylpropanoate |
Description: | Methyl 3-Amino-3-phenylpropanoate (CAS# 14898-52-3) is a useful research chemical. |
Molecular Weight: | 179.22 |
Molecular Formula: | C10H13NO2 |
Canonical SMILES: | COC(=O)CC(C1=CC=CC=C1)N |
InChI: | InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3 |
InChI Key: | XKIOBYHZFPTKCZ-UHFFFAOYSA-N |
Boiling Point: | 283 °C at 760 mmHg |
Density: | 1.098 g/cm3 |
LogP: | 1.94980 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3712128-A1 | Photochemical intermolecular amination method | 20190318 |
KR-20190043013-A | Novel indazole derivatives, and use thereof | 20171017 |
KR-102179406-B1 | Novel indazole derivatives, and use thereof | 20171017 |
WO-2018219478-A1 | Heteroaryl-carboxamides as histone demethylase inhibitors | 20170602 |
EP-3521274-A1 | Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof | 20160929 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.094628657 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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