(S)-(-)-1-(p-Tolyl)ethylamine - CAS 27298-98-2

Catalog:	BB019522
Product Name:	(S)-(-)-1-(p-Tolyl)ethylamine
CAS:	27298-98-2
Synonyms:	(1S)-1-(4-methylphenyl)ethanamine; (1S)-1-(4-methylphenyl)ethanamine

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	(1S)-1-(4-methylphenyl)ethanamine
Description:	(S)-(−)-α,4-Dimethylbenzylamine was used in the study of heterogeneous Raney nickel and cobalt catalysts for racemization and dynamic kinetic resolution of amines.
Molecular Weight:	135.21
Molecular Formula:	C9H13N
Canonical SMILES:	CC1=CC=C(C=C1)C(C)N
InChI:	InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1
InChI Key:	UZDDXUMOXKDXNE-QMMMGPOBSA-N
Boiling Point:	205 °C
Density:	0.919 g/cm³
MDL:	MFCD00145246
LogP:	2.71500

Publication Number	Title	Priority Date
CN-112851500-A	S-loxoprofen derivative and preparation method, pharmaceutical composition and application thereof	20210210
CN-111518166-A	Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20200520
WO-2021127459-A1	Gpr139 receptor modulators	20191220
WO-2021064189-A2	Prostaglandin e2 (pge2) ep4 receptor antagonists	20191002
WO-2021055326-A1	Azole-fused pyridazin-3(2h)-one derivatives	20190916

PMID	Publication Date	Title	Journal
18004048	20071201	Monitoring structural transformations in crystals. 11. Yang photocyclizations--one type of reaction, but diversity of structural changes	Acta crystallographica. Section B, Structural science

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Related Functional Groups

Amines and Anilines

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Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	135.104799419
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5