CAS 1076197-00-6 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanoic acid (HCID 45024431)

기본 정보

CAS: 1076197-00-6
표준 SMILES: CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: YQSADVVFFDZPHI-UHFFFAOYSA-N
분자식: C20H21NO4
평균 분자량: 339.4 g/mol

이름 및 식별자

우선 이름: 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanoic acid
IUPAC: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoic acid
영어명: 3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,2-DIMETHYLPROPANOIC ACID
분자식: C20H21NO4
분자량: 339.39

이름 및 동의어

1076197-00-63-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,2-dimethylpropanoic acid3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanoic acidRefChem:487837847-178-3Fmoc-3-amino-2,2-dimethyl-propionic acidMFCD099526263-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoic acid3-(Fmoc-amino)-2,2-dimethylpropanoic Acid2-[(Fmoc-amino)methyl]-2-methylpropanoic acidSCHEMBL14957061SCHEMBL30421778

이름 더 보기

Propanoic acid, 2-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-2-methyl-

SCHEMBL30896041YQSADVVFFDZPHI-UHFFFAOYSA-N3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethylpropanoic acidAKOS017556587AS-89366SY377771DB-192228E70947

데이터베이스 식별자

CAS: 1076197-00-6
PubChem CID: 45024431
EC Number: 847-178-3

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 25
형식 전하: 0
복잡도: 482

물리화학적 성질

끓는 점: 556.1 · 556.1±33.0 °C(Predicted)
밀도: 1.232 · 1.232±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.56 · 4.56±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.