6-アミノヘキサンアミド

Hexanamide, 6-amino-

HCID 67798

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 373-04-6
標準SMILES: NCCCCCC(N)=O
InChIKey: ZLHYDRXTDZFRDZ-UHFFFAOYSA-N
分子式: C6H14N2O
平均分子量: 130.19 g/mol
単同位体質量: 130.11061307

名称と識別子

優先名称: Hexanamide, 6-amino-
IUPAC: 6-aminohexanamide
現地名: 6-アミノヘキサンアミド
英語名: 6-aminohexanamide
分子式: C6H14N2O
分子量: 130.19

名称と別名

6-AminohexanamideHexanamide, 6-amino-6-AminocaproamideEINECS 206-762-2DTXSID5059909RefChem:146104DTXCID5039307206-762-2373-04-6MFCD02093857epsilon-aminocaproamideSCHEMBL285471

名称をさらに表示

6-アミノヘキサンアミド6-azanylhexanamideAdipic Acid Impurity 7Diphenylpyraline Impurity 5

6-aminohexanamide, AldrichCPR7A669X4GBUSCHEMBL1629675SCHEMBL4287392SCHEMBL7862930SCHEMBL8593670CHEBI:138501AC6029

データベース識別子

CAS: 373-04-6
PubChem CID: 67798
DTXSID: DTXSID5059909
ChEBI: CHEBI:138501
UNII: 7A669X4GBU
EC Number: 206-762-2
Nikkaji: J213.567A

物性

構造計算による物性

XLogP: -1.3
極性表面積: 69.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 83

物理化学的性質

融点: 50 · 50-51 °C
沸点: 165 · 165-167 °C(Press: 1 Torr)
比重(密度): 0.985 · 0.985±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
外見: solid
酸解離定数(Pka): 16.59 · 16.59±0.40(Predicted)
InChI: 1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)
InChIKey: ZLHYDRXTDZFRDZ-UHFFFAOYSA-N
SMILES: NCCCCCC(N)=O
EPAの化学物質情報: 6 · Hexanamide, 6-amino- (373-04-6)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 95.7% (22 of 23) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 22 of 23 companies (only 4.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 23 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 22 of 23 reports by companies.；There is 1 notification provided by 1 of 23 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.