N-Boc-4-Hydroxyphenyl-DL-glycine

HCID 4189925

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 53249-34-6
標準SMILES: CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(O)cc1
InChIKey: LRWJRIFKJPPAPM-UHFFFAOYSA-N
分子式: C13H17NO5
平均分子量: 267.28 g/mol
単同位体質量: 267.11067264

名称と識別子

優先名称: N-Boc-4-Hydroxyphenyl-DL-glycine
IUPAC: 2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
英語名: N-Boc-4-Hydroxyphenyl-DL-glycine
分子式: C13H17NO5
分子量: 267.28

名称と別名

53249-34-6N-Boc-4-Hydroxyphenyl-DL-glycine2-((tert-Butoxycarbonyl)amino)-2-(4-hydroxyphenyl)acetic acidtert-butoxycarbonylamino-(4-hydroxy-phenyl)-acetic acid2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic AcidMFCD04038494Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-[(TERT-BUTOXYCARBONYL)AMINO](4-HYDROXYPHENYL)ACETIC ACID2-{[(tert-butoxy)carbonyl]amino}-2-(4-hydroxyphenyl)acetic acidBoc-2-amino-2-(4-hydroxyphenyl)acetic acidBoc-D-Phg(4-OH)-OHEN300-1071280

名称をさらに表示

Boc-DL-Phg(4-OH)Boc-D,L-Phg(4-OH)-OHBOC-D-4-HydroxyphenylglycineBoc-d-p-hydroxyphenylglycineBoc-4-Hydroxyphenyl-DL-GlycineN-Boc-RS-4-HydroxyphenylglycineN-Boc-4-Hydroxyphenyl-DL-glycine USP/EP/BP

tert-butoxycarbonylamino(4-hydroxyphenyl)acetic acid2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetic acidBoc-DL-4-OH-Phg-OH2-(boc-amino)-2-(4'-hydroxyphenyl)acetic acidSCHEMBL191987tert-butoxycarbonylamino-(4-hydroxyphenyl)acetic acidDTXSID60400562LRWJRIFKJPPAPM-UHFFFAOYSA-N

データベース識別子

CAS: 53249-34-6
PubChem CID: 4189925
DTXSID: DTXSID60400562
EC Number: 675-741-1

物性

構造計算による物性

XLogP: 1.9
極性表面積: 95.9 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 328

物理化学的性質

沸点: 463.1 · 463.1±40.0 °C(Predicted)
比重(密度): 1.267 · 1.267±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 3.71 · 3.71±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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)

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