CAS 77445-06-8 1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one (HCID 12687022)

基本情報

CAS: 77445-06-8
標準SMILES: CC(=O)N1CCC(CN)CC1
InChIKey: NHULDSLAXOHLGR-UHFFFAOYSA-N
分子式: C8H16N2O
平均分子量: 156.23 g/mol
単同位体質量: 156.12626313

名称と識別子

優先名称: 1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one
IUPAC: 1-[4-(aminomethyl)piperidin-1-yl]ethanone
現地名: 1-(1-アセチルピペリジン-4-イル)メタンアミン
英語名: CHEMBRDG-BB 4011924
分子式: C8H16N2O
分子量: 156.23

名称と別名

77445-06-81-[4-(aminomethyl)piperidin-1-yl]ethan-1-oneDTXSID205068971-(4-(Aminomethyl)piperidin-1-yl)ethan-1-oneRefChem:224730DTXCID30457705820-270-01-(4-(Aminomethyl)piperidin-1-yl)ethanone1-[4-(aminomethyl)piperidin-1-yl]ethanone1-(1-Acetyl-4-piperidinyl)methanamine1-[4-(Aminomethyl)-1-piperidyl]ethanone1-Acetyl-4-piperidinemethanamine

名称をさらに表示

1-(1-アセチルピペリジン-4-イル)メタンアミンOTAVA-BB 1127468RARECHEM AL BW 0884CHEMBRDG-BB 40119241-(1-ACETYL PIPERIDINE-4-YL)METHANAMINEEthanone, 1-[4-(aminomethyl)-1-piperidinyl]-

MFCD062129241-(1-acetylpiperidin-4-yl)methanamineBis(1-[4-(aminomethyl)piperidin-1-yl]ethan-1-one), oxalic acid1-(4-Aminomethyl-piperidin-1-yl)-ethanoneSCHEMBL3155421-acetyl-4-piperidinmethanamineCHEMBL45273861-acetyl-4-aminomethylpiperidine

データベース識別子

CAS: 77445-06-8
PubChem CID: 12687022
DTXSID: DTXSID20506897
ChEMBL: CHEMBL4527386
EC Number: 820-270-0

物性

構造計算による物性

XLogP: -0.5
極性表面積: 46.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 139

物理化学的性質

貯蔵温度: 2 · 2-8°C(protect from light)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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.