ピペラジン-1-カルボン酸ジメチルアミド

n,n-Dimethylpiperazine-1-carboxamide

HCID 712909CAS 41340-78-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)C(=O)N1CCNCC1
InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
分子式: C7H15N3O
平均分子量: 157.21 g/mol
単同位体質量: 157.1215121

名称と識別子

優先名称: n,n-Dimethylpiperazine-1-carboxamide
IUPAC: N,N-dimethylpiperazine-1-carboxamide
現地名: ピペラジン-1-カルボン酸ジメチルアミド
英語名: Piperazine-1-carboxylic acid dimethylamide
分子式: C7H15N3O
分子量: 157.21

名称と別名

n,n-dimethylpiperazine-1-carboxamide41340-78-7DTXSID50351897RefChem:359406DTXCID30302963Piperazine-1-carboxylic acid dimethylamideMFCD01050443N,N-dimethyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N,N-dimethyl-piperazine-1-carboxylic acid dimethyl amideN,N-dimethylpiperazinylcarboxamideHMS1551O20

名称をさらに表示

ピペラジン-1-カルボン酸ジメチルアミドAKOS BBS-00005897CBI-BB ZERO/006038TIMTEC-BB SBB0025831-(Dimethylcarbamoyl)piperazinePiperazine-1-carboxylic acid dimet1-Piperazinecarboxamide,N,N-dimethyl-(9CI)

AKOS002245260piperazine carboxylic acid dimethylamideA1AKBPiperazine-1-carboxylic acid, dimethylamideCS-0151344Z270760338BCP186821-Piperazinecarboxamide,N,N-dimethyl-

データベース識別子

CAS: 41340-78-7
PubChem CID: 712909
DTXSID: DTXSID50351897
ChEMBL: CHEMBL1616670
EC Number: 674-590-9

物性

構造計算による物性

XLogP: -0.9
極性表面積: 35.6 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: 0
重原子数: 11
形式電荷: 0
複雑度: 141

物理化学的性質

沸点: 79 · 79-80°C/0.2mm
比重(密度): 1.058 · 1.058±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 8.55 · 8.55±0.10(Predicted)
外見: solid
色: Pale yellow
InChI: InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
SMILES: N1(C(N(C)C)=O)CCNCC1
CAS データベース: 41340 · 41340-78-7(CAS DataBase Reference)

化学的性質

化学的特性White low melting solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

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