N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine

HCID 6364642CAS 35661-39-3

基本情報

標準SMILES: C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: QWXZOFZKSQXPDC-NSHDSACASA-N
分子式: C18H17NO4
平均分子量: 311.3 g/mol
単同位体質量: 311.11575802

名称と識別子

優先名称: N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

名称と別名

35661-39-3N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanineDTXSID001245823N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanineEINECS 252-660-6NSC 334296FMOCAlaOH NovabiochemRefChem:823140DTXCID501676675252-660-6Fmoc-Ala-OHFmoc-L-alanine

名称をさらに表示

N-Fmoc-L-alanineFMOC-L-ALA-OHMFCD00037139L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidN-(9-Fluorenylmethoxycarbonyl)-L-alanineSCHEMBL119044Fmoc-L-Alanine monohydrate

データベース識別子

CAS: 35661-39-3
PubChem CID: 6364642
DTXSID: DTXSID001245823
ChEMBL: CHEMBL4284055
UNII: 352A2N82BU
EC Number: 252-660-6
Nikkaji: J256.555B

物性

構造計算による物性

XLogP: 3.1
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 23
形式電荷: 0
複雑度: 430

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Physical DescriptionWhite to light yellow solid; [EMD Millipore MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 72.7% (8 of 11) of all reports.

Warning

H302 (18.2%): 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 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.