(S)-2-Phenyl-1-propanamine - CAS 17596-79-1

Catalog:	BB013186
Product Name:	(S)-2-Phenyl-1-propanamine
CAS:	17596-79-1
Synonyms:	(2S)-2-phenyl-1-propanamine; (2S)-2-phenylpropan-1-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(2S)-2-phenylpropan-1-amine
Description:	(S)-2-Phenyl-1-propanamine (CAS# 17596-79-1) is a preparation of the pyrazolyl containing tricyclic derivative and their application as anticancer agents.
Molecular Weight:	135.21
Molecular Formula:	C9H13N
Canonical SMILES:	CC(CN)C1=CC=CC=C1
InChI:	InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
InChI Key:	AXORVIZLPOGIRG-MRVPVSSYSA-N
Boiling Point:	210 °C at 760 mmHg
Density:	0.945 g/cm³
Appearance:	Clear colorless liquid
MDL:	MFCD00216741
LogP:	2.44910

Publication Number	Title	Priority Date
WO-2019238057-A1	Application of fso2n3 in preparation of azide	20180613
WO-2019076336-A1	Triazole derivative containing pyrazolyl, preparation method and application thereof	20171019
EP-3699179-A1	Pyrazolyl-containing tricyclic derivative, preparation method therefor and use thereof	20171019
US-2020247815-A1	Pyrazolyl-containing tricyclic derivative, preparation method therefor and use thereof	20171019
US-2019144499-A1	Phenyl propanamide derivative, and manufacturing method and pharmaceutical application thereof	20160607

PMID	Publication Date	Title	Journal
18602830	20080801	Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1	Bioorganic & medicinal chemistry

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	84.7
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:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2