3-(ジメチルアミノ)プロパン酸

3-(Dimethylamino)propanoic acid

HCID 239828

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6300-04-5
標準SMILES: CN(C)CCC(=O)O
InChIKey: JMOXSQYGVIXBBZ-UHFFFAOYSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol
単同位体質量: 117.07897859

名称と識別子

優先名称: 3-(Dimethylamino)propanoic acid
IUPAC: 3-(dimethylamino)propanoic acid
現地名: 3-(ジメチルアミノ)プロパン酸
英語名: 3-(Dimethylamino)propanoicacid
分子式: C5H11NO2
分子量: 117.15

名称と別名

3-(dimethylamino)propanoic acid6300-04-5DTXSID40286407RefChem:495072DTXCID40203957N,N-dimethyl-beta-alanine3-(Dimethylamino)propanoicacid3-(Dimethylamino)propionic acid3-DIMETHYLAMINOPROPIONIC ACIDMFCD004822343-(N,N-Dimethylamino)propionic acid3-dimethylaminopropanoic acid

名称をさらに表示

3-(ジメチルアミノ)プロパン酸3-(ジメチルアミノ)プロピオン酸SKL485NSC 73153NSC 45506β-Alanine, N,N-dimethyl-b-Alanine, N,N-diMethyl-beta.-Alanine,N,N-dimethylN,N-dimethyl-.beta.-Alanine3-(dimethylamino)propanoicaci

3-dimethylamino-propionic aciddimethyl-b-alanineNSC73153N,N-Dimethyl-b-alanineN,N-dimethyl beta-alanineNCIOpen2_000360SCHEMBL1038743-dimethylamino propionic acid

データベース識別子

CAS: 6300-04-5
PubChem CID: 239828
DTXSID: DTXSID40286407
ChEBI: CHEBI:138668
EC Number: 641-109-9
Nikkaji: J1.218.411E

物性

構造計算による物性

XLogP: -2.5
極性表面積: 40.5 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: 8
形式電荷: 0
複雑度: 80

物理化学的性質

融点: 143 · 143-146℃
沸点: 140 · 140-142 °C(Press: 0.15 Torr)
比重(密度): 1.037 · 1.037
貯蔵温度: Store at room temperature
酸解離定数(Pka): 3.67 · 3.67±0.14(Predicted)
外見: solid
InChI: InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey: JMOXSQYGVIXBBZ-UHFFFAOYSA-N
SMILES: C(O)(=O)CCN(C)C

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 5 of 5 reports by companies.；There are 0 notifications provided by 0 of 5 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.