N-(2-Piperidylmethyl)-dimethylamine

HCID 252484

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基本情報

CAS: 60717-51-3
標準SMILES: CN(C)CC1CCCCN1
InChIKey: TVQYLBWVRBQOGI-UHFFFAOYSA-N
分子式: C8H18N2
平均分子量: 142.24 g/mol
単同位体質量: 142.14699858

名称と識別子

優先名称: N-(2-Piperidylmethyl)-dimethylamine
IUPAC: N,N-dimethyl-1-piperidin-2-ylmethanamine
英語名: Dimethyl-piperidin-2-ylmethyl-amine
分子式: C8H18N2
分子量: 142.24

名称と別名

N-(2-PIPERIDYLMETHYL)-DIMETHYLAMINERefChem:825695633-149-060717-51-3dimethyl(piperidin-2-ylmethyl)amineN,N-dimethyl-1-(piperidin-2-yl)methanamineDimethyl-piperidin-2-ylmethyl-amine2-(DIMETHYLAMINOMETHYL)PIPERIDINEN,N-dimethyl-1-piperidin-2-ylmethanamineMFCD00023136N,N-Dimethyl-1-(2-piperidyl)methanamine2-piperidinemethanamine, n,n-dimethyl-

名称をさらに表示

S 35496-1NSC 74470UKRORGSYN-BB BBV-075946N-(2-Piperidylmethyl)dimethylamineN,N-Dimethyl-2-piperidinemethylamineN-(Piperidin-2-ylmethyl)dimethylamine

NSC74470SCHEMBL1233909SCHEMBL1826955Dimethylpiperidin-2-ylmethylamineDTXSID20291251TVQYLBWVRBQOGI-UHFFFAOYSA-N2-(dimethylaminomethyl)-piperidine2-[(dimethylamino)methyl]piperidine

データベース識別子

CAS: 60717-51-3
PubChem CID: 252484
DTXSID: DTXSID20291251
EC Number: 633-149-0

物性

構造計算による物性

XLogP: 0.7
極性表面積: 15.3 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: 2
重原子数: 10
形式電荷: 0
複雑度: 91.3

物理化学的性質

沸点: 178 ℃ · 178℃
比重(密度): 0.868 · 0.868
闪点: 51 ℃ · 51℃
酸解離定数(Pka): 10.19 · 10.19±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.