Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 7019130생성일: 2026년 10월 27일

Boc-Tyr-OMe

BOC-TYR-OME · BOC-L-TYR-OME · N-BOC-L-TYROSINE METHYL ESTER · Boc-Tyr-OMe 97% · N-BOC-L-Tyr-Ome · BOC-TYROSINE-OME · -Tyrosine methyL · Boc-L-Tyr-Ome-OH

https://huagongshe.com/ko/chemical/7019130

식별자 및 물리적 특성

CAS No.	4326-36-7
분자식	C15H21NO5
평균 분자량	295.33 g/mol
단동위원소 질량	295.14197277 g/mol
SMILES	COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
InChIKey	NQIFXJSLCUJHBB-LBPRGKRZSA-N
PubChem CID	7019130
EC No.	805-703-3
DTXSID	DTXSID60427077

화학 및 물리적 성질

XLogP	1.7
극성 표면적	84.9
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	7
무거운 원자 수	21
형식 전하	0
복잡도	356
녹는점	100-104 °C(lit.)
끓는 점	452.7±40.0 °C(Predicted)
밀도	1.169±0.06 g/cm3(Predicted)
굴절률	50 ° (C=1, MeOH)
저장 조건	Sealed in dry,Room Temperature
용해도	almost transparency in Methanol
pKa(산도 계수)	9.75±0.15(Predicted)
물리적 상태	분말 또는 결정성 분말
색상	흰색에서 연한 노란색
주요 응용	펩타이드 합성
InChI	InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
InChIKey	NQIFXJSLCUJHBB-LBPRGKRZSA-N
SMILES	C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O

화학적 성질

Colorless solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).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 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%)
수질 위해 등급(WGK)	3
관세 코드	29242990
안전 문구(S)	24/25
저장 분류	11 - Combustible Solids

CAS No.

4326-36-7

분자식

C15H21NO5

평균 분자량

295.33 g/mol

단동위원소 질량

295.14197277 g/mol

SMILES

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

InChIKey

NQIFXJSLCUJHBB-LBPRGKRZSA-N

PubChem CID

7019130

EC No.

805-703-3

DTXSID

DTXSID60427077

화학 및 물리적 성질

XLogP

1.7

극성 표면적

84.9

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

356

녹는점

100-104 °C(lit.)

끓는 점

452.7±40.0 °C(Predicted)

밀도

1.169±0.06 g/cm3(Predicted)

굴절률

50 ° (C=1, MeOH)

저장 조건

Sealed in dry,Room Temperature

용해도

almost transparency in Methanol

pKa(산도 계수)

9.75±0.15(Predicted)

물리적 상태

분말 또는 결정성 분말

색상

흰색에서 연한 노란색

주요 응용

펩타이드 합성

InChI

InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1

InChIKey

NQIFXJSLCUJHBB-LBPRGKRZSA-N

SMILES

C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O

화학적 성질

Colorless solid

안전 및 규제

GHS 분류

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).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 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%)

수질 위해 등급(WGK)

관세 코드

29242990

안전 문구(S)

24/25

저장 분류

11 - Combustible Solids