(S)-(-)-N-Benzyl-alpha-methylbenzylamine - CAS 17480-69-2

Catalog:	BB013044
Product Name:	(S)-(-)-N-Benzyl-alpha-methylbenzylamine
CAS:	17480-69-2
Synonyms:	(1S)-1-phenyl-N-(phenylmethyl)ethanamine; (1S)-N-benzyl-1-phenylethanamine

Technical Data

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Computed Properties

IUPAC Name:	(1S)-N-benzyl-1-phenylethanamine
Description:	(S)-(-)-N-Benzyl-alpha-methylbenzylamine (CAS# 17480-69-2) is a useful research chemical, an optically active compound.
Molecular Weight:	211.30
Molecular Formula:	C15H17N
Canonical SMILES:	CC(C1=CC=CC=C1)NCC2=CC=CC=C2
InChI:	InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1
InChI Key:	ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
Boiling Point:	171 °C (15 mmHg)
Density:	1.001 g/cm³
MDL:	MFCD00066325
LogP:	3.92830

Publication Number	Title	Priority Date
CN-110813337-A	Metal-phosphorus-carbon hierarchical pore catalyst and preparation method and application thereof	20191202
CN-110813337-B	Metal-phosphorus-carbon hierarchical pore catalyst and preparation method and application thereof	20191202
WO-2021047616-A1	Oxynitride heterocyclic heptane-based spiro compound, intermediate and preparation method therefor	20190912
WO-2020234483-A1	Oxalamido-substituted tricyclic inhibitors of hepatitis b virus	20190523
WO-2020153279-A1	Process for the differential solubility-driven asymmetric transformation of substituted 2h-chromene-3-carboxylic acids	20190122

PMID	Publication Date	Title	Journal
22531950	20120814	On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters	Organic & biomolecular chemistry
18528582	20080621	Parallel kinetic resolution of tert-butyl (RS)-3-oxy-substituted cyclopent-1-ene-carboxylates for the asymmetric synthesis of 3-oxy-substituted cispentacin and transpentacin derivatives	Organic & biomolecular chemistry
18421400	20080507	Asymmetric synthesis of vicinal amino alcohols: xestoaminol C, sphinganine and sphingosine	Organic & biomolecular chemistry
18421401	20080507	Asymmetric synthesis of N,O,O,O-tetra-acetyl d-lyxo-phytosphingosine, jaspine B (pachastrissamine), 2-epi-jaspine B, and deoxoprosophylline via lithium amide conjugate addition	Organic & biomolecular chemistry
18092082	20080114	Transamination chemistry of sodium TMP-zincate: synthesis and crystal structure of a chiral amidozincate	Chemical communications (Cambridge, England)

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GHS Hazard Statement:	H302 (97.67%): 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

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	211.136099547
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.136099547
Rotatable Bond Count:	4
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2