CAS 335247-33-1 2-(((Tert-butoxy)carbonyl)amino)-6-methylheptanoic acid (HCID 53650046)

基本情報

CAS: 335247-33-1
標準SMILES: CC(C)CCCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: AMAFOMIBEAFCPF-UHFFFAOYSA-N
分子式: C13H25NO4
平均分子量: 259.34 g/mol

名称と識別子

優先名称: 2-(((Tert-butoxy)carbonyl)amino)-6-methylheptanoic acid
IUPAC: 6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid

名称と別名

2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid335247-33-12-(((Tert-butoxy)carbonyl)amino)-6-methylheptanoic acidRefChem:447176962-339-9SCHEMBL1927174AMAFOMIBEAFCPF-UHFFFAOYSA-NEN300-12994172-((tert-butoxycarbonyl)amino)-6-methylheptanoic acid

データベース識別子

CAS: 335247-33-1
PubChem CID: 53650046
EC Number: 962-339-9

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: 8
重原子数: 18
形式電荷: 0
複雑度: 281

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.