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HCID 688331Erstellt: 2. November 2026

(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide

(S)-(-)-N-(1-(hydroxymethyl)-2-phenyl-ethyl)-4-me · N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide · (S)-(-)-N-[1-(HYDROXYMETHYL)-2-PHENYLETHYL]-4-METHYLBENZENESULFONAMIDE · Benzenesulfonamide, N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-4-methyl- · (S)-(?)-N-[1-(Hydroxymethyl)-2-phenylethyl]-4-methylbenzenesulfonamide · (S)-(-)-N-[1-(HYDROXYMETHYL)-2-PHENYLETHYL]-4-METHYLBENZENESULFONAMIDE ISO 9001：2015 REACH

https://huagongshe.com/de/chemical/688331

Molekülstruktur von (S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide

Identifikatoren & physikalische Daten

CAS No.	82495-70-3
Summenformel	C16H19NO3S
Durchschnittliche Molmasse	305,4 g/mol
Monoisotopische Masse	305,10856464 g/mol
SMILES	Cc1ccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cc1
InChIKey	QSUGRMCPSKTJTP-HNNXBMFYSA-N
PubChem CID	688331
ChEMBL	CHEMBL512453
EC No.	624-617-5
DTXSID	DTXSID80350878

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	74,8
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	6
Schwere Atome	21
Formalladung	0
Komplexität	390
Schmelzpunkt	63-67 °C(lit.)
Siedepunkt	502.3±60.0 °C(Predicted)
Dichte	1.231±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	10.95±0.50(Predicted)
InChI	1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1
InChIKey	QSUGRMCPSKTJTP-HNNXBMFYSA-N
SMILES	Cc1ccc(cc1)S(=O)(=O)N[C@H](CO)Cc2ccccc2

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide

CAS No.

82495-70-3

Summenformel

C16H19NO3S

Durchschnittliche Molmasse

305,4 g/mol

Monoisotopische Masse

305,10856464 g/mol

SMILES

Cc1ccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cc1

InChIKey

QSUGRMCPSKTJTP-HNNXBMFYSA-N

PubChem CID

688331

ChEMBL

CHEMBL512453

EC No.

624-617-5

DTXSID

DTXSID80350878

Chemische & physikalische Eigenschaften

XLogP

2,6

Polarare Oberfläche (TPSA)

74,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

390

Schmelzpunkt

63-67 °C(lit.)

Siedepunkt

502.3±60.0 °C(Predicted)

Dichte

1.231±0.06 g/cm3(Predicted)

pKa (Säurekonstante)

10.95±0.50(Predicted)

InChI

1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1

InChIKey

QSUGRMCPSKTJTP-HNNXBMFYSA-N

SMILES

Cc1ccc(cc1)S(=O)(=O)N[C@H](CO)Cc2ccccc2

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Wassergefährdungsklasse (WGK)

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-37/39

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Eye Irrit. 2Skin Irrit. 2STOT SE 3