6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid

HCID 66769552CAS 1187368-46-2

기본 정보

표준 SMILES: CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1
InChIKey: PJZIGPNYGIGSRC-UHFFFAOYSA-N
분자식: C13H18N2O4
평균 분자량: 266.29 g/mol
단동위원소 질량: 266.12665706

이름 및 식별자

우선 이름: 6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid
IUPAC: 6-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acid

이름 및 동의어

1187368-46-26-{[(tert-butoxy)carbonyl](ethyl)amino}pyridine-3-carboxylic acid6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acidRefChem:538870858-579-86-(tert-Butoxycarbonyl-ethyl-amino)-nicotinic acid6-{[(tert-butoxy)carbonyl](ethyl)amino}pyridine-3-carboxylicacid6-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acidSCHEMBL691345PJZIGPNYGIGSRC-UHFFFAOYSA-NDB-113876EN300-6508936

데이터베이스 식별자

CAS: 1187368-46-2
PubChem CID: 66769552
EC Number: 858-579-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 79.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 338

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.