N-페닐술포닐-L-프롤린

N-페닐술포닐-L-프롤린 · MFCD09863517 · (phenylsulfonyl)proline · 1-(PHENYLSULFONYL)PROLINE · N-Phenylsulfonyl-L-proline · Proline, 1-(phenylsulfonyl)- · (2S)-1-phenylsulfonylproline · (2S)-1-phenylsulfonyl-2-pyrrolidinecarboxylic acid

https://huagongshe.com/ko/chemical/2837293

식별자 및 물리적 특성

CAS No.	88425-47-2
분자식	C11H13NO4S
평균 분자량	255.29 g/mol
단동위원소 질량	255.05652907 g/mol
SMILES	O=C(O)C1CCCN1S(=O)(=O)c1ccccc1
InChIKey	JUSWZYFYLXTMLJ-UHFFFAOYSA-N
PubChem CID	2837293
ChEMBL	CHEMBL1089451
EC No.	621-574-4
DTXSID	DTXSID301312598
현지명	N-페닐술포닐-L-프롤린

화학 및 물리적 성질

XLogP	1.2
극성 표면적	83.1
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	3
무거운 원자 수	17
형식 전하	0
복잡도	381
끓는 점	462.4±55.0 °C(Predicted)
밀도	1.423±0.06 g/cm3(Predicted)
pKa(산도 계수)	3.44±0.20(Predicted)

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Skin Sens. 1 (97.5%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

CAS No.

88425-47-2

분자식

C11H13NO4S

평균 분자량

255.29 g/mol

단동위원소 질량

255.05652907 g/mol

SMILES

O=C(O)C1CCCN1S(=O)(=O)c1ccccc1

InChIKey

JUSWZYFYLXTMLJ-UHFFFAOYSA-N

PubChem CID

2837293

ChEMBL

CHEMBL1089451

EC No.

621-574-4

DTXSID

DTXSID301312598

현지명

N-페닐술포닐-L-프롤린

XLogP

1.2

극성 표면적

83.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

381

끓는 점

462.4±55.0 °C(Predicted)

밀도

1.423±0.06 g/cm3(Predicted)

pKa(산도 계수)

3.44±0.20(Predicted)

안전 및 규제

GHS 분류

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Skin Sens. 1 (97.5%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

신호 어

Warning

유해·위험 문구

암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315