2-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid

https://huagongshe.com/ko/chemical/269698

식별자 및 물리적 특성

CAS No.	1178567-92-4
분자식	C14H19NO4
평균 분자량	265.3 g/mol
단동위원소 질량	265.13140809 g/mol
SMILES	CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O
InChIKey	ZYJPUMXJBDHSIF-UHFFFAOYSA-N
PubChem CID	269698
ChEMBL	CHEMBL1721171
EC No.	834-373-3
DTXSID	DTXSID90296718

화학 및 물리적 성질

XLogP	2.2
극성 표면적	75.6
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	6
무거운 원자 수	19
형식 전하	0
복잡도	316
용해도	35.3 [ug/mL] (The mean of the results at pH 7.4)

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS 분류

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)