CAS 330793-26-5 3-{[(Tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacid (HCID 22346961)

基本情報

CAS: 330793-26-5
標準SMILES: CC(C)(C)OC(=O)N(CCO)CCC(=O)O
InChIKey: HKVQWBJTOOSNIP-UHFFFAOYSA-N
分子式: C10H19NO5
平均分子量: 233.26 g/mol

名称と識別子

優先名称: 3-{[(Tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacid
IUPAC: 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

名称と別名

330793-26-53-{[(tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacidSCHEMBL5788917HKVQWBJTOOSNIP-UHFFFAOYSA-N3-{[(tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoic acidEN300-10718783-[(tert-butoxycarbonyl)(2-hydroxyethyl)amino]propanoic acid

データベース識別子

CAS: 330793-26-5
PubChem CID: 22346961
EC Number: 117-838-9

物性

構造計算による物性

XLogP: -0.1
極性表面積: 87.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 16
形式電荷: 0
複雑度: 246

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.