CAS 1108172-95-7 tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylate (HCID 59444330)

基本情報

CAS: 1108172-95-7
標準SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CN
InChIKey: JHUZWJPECLTTFD-XHNCKOQMSA-N
分子式: C11H20N2O2
平均分子量: 212.29 g/mol

名称と識別子

優先名称: tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylate
IUPAC: tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

名称と別名

1108172-95-7tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylatetert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylateRefChem:891558959-321-8MFCD31696553(1S,2S,5R)-3-Boc-2-(aminomethyl)-3-azabicyclo[3.1.0]hexaneSCHEMBL1339459JHUZWJPECLTTFD-XHNCKOQMSA-NAT52363PS-20548SY324177

名称をさらに表示

CS-0184924P18876EN300-6960358(1S,2S,5R)-2-Aminomethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl esterREL-TERT-BUTYL (1S,2S,5R)-2-(AMINOMETHYL)-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATEt-Butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylatetert-butyl(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

データベース識別子

CAS: 1108172-95-7
PubChem CID: 59444330
EC Number: 959-321-8

物性

構造計算による物性

XLogP: 0.7
極性表面積: 55.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 272

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.