(S)-2-(Benzylamino)-1-phenylethanol - CAS 51096-49-2

Catalog:	BB027328
Product Name:	(S)-2-(Benzylamino)-1-phenylethanol
CAS:	51096-49-2
Synonyms:	(1S)-1-phenyl-2-[(phenylmethyl)amino]ethanol; (1S)-2-(benzylamino)-1-phenylethanol

Technical Data

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Computed Properties

IUPAC Name:	(1S)-2-(benzylamino)-1-phenylethanol
Description:	(S)-2-(Benzylamino)-1-phenylethanol (CAS# 51096-49-2) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C15H17NO
Canonical SMILES:	C1=CC=C(C=C1)CNCC(C2=CC=CC=C2)O
InChI:	InChI=1S/C15H17NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m1/s1
InChI Key:	XAOCLQUZOIZSHV-OAHLLOKOSA-N
Boiling Point:	375.2 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD03427123
LogP:	2.90070

Publication Number	Title	Priority Date
AU-2006270742-A1	Intermediate compound for synthesizing pharmaceutical agent and production method thereof	20050722
CA-2615515-A1	Intermediate compound for synthesizing pharmaceutical agent and production method thereof	20050722
CN-101228142-A	Intermediate compound for synthesizing pharmaceutical agent and production method thereof	20050722
CN-102050820-A	Preparation method of compound with optical activity	20050722
CN-102120741-A	Production method of an optically active compound	20050722

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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

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	227.131014166
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	227.131014166
Rotatable Bond Count:	5
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1