2-[[2-(4-Nitrophenyl)-ethyl]amino]-1-phenylethanol monohydrochloride, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N2O3.ClH
Molecular Weight	322.787
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[2-(4-Nitrophenyl)-ethyl]amino]-1-phenylethanol monohydrochloride, (R)-

Structure Search

SMILES

Cl.O[C@@H](CNCCC1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2

InChI

InChIKey=LUAUJCGKCGBAKA-NTISSMGPSA-N

InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C16H18N2O3
Molecular Weight	286.3257
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:20:36 GMT 2023` Edited by `admin` on `Sat Dec 16 19:20:36 GMT 2023`
Record UNII	345JW7XBY4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[[2-(4-Nitrophenyl)-ethyl]amino]-1-phenylethanol monohydrochloride, (R)-

Systematic Name

English

(R)-2-[[2-(4-Nitrophenyl)-ethyl]amino]-1-phenylethanol monohydrochloride

Systematic Name

English

Benzenemethanol, α-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, monohydrochloride, (αR)-

Systematic Name

English

Benzenemethanol, α-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (αR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

345JW7XBY4

Created by admin on Sat Dec 16 19:20:36 GMT 2023 , Edited by admin on Sat Dec 16 19:20:36 GMT 2023

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PUBCHEM

67020338

Created by admin on Sat Dec 16 19:20:36 GMT 2023 , Edited by admin on Sat Dec 16 19:20:36 GMT 2023

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CAS

521284-21-9

Created by admin on Sat Dec 16 19:20:36 GMT 2023 , Edited by admin on Sat Dec 16 19:20:36 GMT 2023

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EPA CompTox

DTXSID20736218

Created by admin on Sat Dec 16 19:20:36 GMT 2023 , Edited by admin on Sat Dec 16 19:20:36 GMT 2023

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