3-Amino-3-(4-chlorophenyl)propionic acid - CAS 19947-39-8
Catalog: |
BB015401 |
Product Name: |
3-Amino-3-(4-chlorophenyl)propionic acid |
CAS: |
19947-39-8 |
Synonyms: |
3-amino-3-(4-chlorophenyl)propanoic acid |
IUPAC Name: | 3-amino-3-(4-chlorophenyl)propanoic acid |
Description: | 3-Amino-3-(4-chlorophenyl)propionic acid (CAS# 19947-39-8) is a useful research chemical. |
Molecular Weight: | 199.63 |
Molecular Formula: | C9H10ClNO2 |
Canonical SMILES: | C1=CC(=CC=C1C(CC(=O)O)N)Cl |
InChI: | InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13) |
InChI Key: | BXGDBHAMTMMNTO-UHFFFAOYSA-N |
Boiling Point: | 345.8 °C at 760 mmHg |
Melting Point: | 223 °C (dec.) |
Purity: | 95 % |
Density: | 1.333 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00126370 |
LogP: | 2.51480 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076703-A1 | Compounds and methods for modulating immune-related proteins | 20191016 |
WO-2021076755-A1 | An activity-guide map of electrophile-cysteine interactions in primary human immune cells | 20191016 |
WO-2021072167-A1 | Compositions and methods for in vivo synthesis of unnatural polypeptides | 20191010 |
WO-2021067313-A1 | Eukaryotic semi-synthetic organisms | 20190930 |
JP-2021017582-A | How to decolorize lignin, how to prepare decolorized lignin, how to make a transparent film of lignin, and white lignin | 20190716 |
PMID | Publication Date | Title | Journal |
21579059 | 20100428 | (2-{[2-Carboxyl-ato-1-(4-chloro-phen-yl)eth-yl]imino-meth-yl}phenolato-κO,N,O')(1H-imidazole-κN)copper(II) monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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