3-(Dimethylamino)propanoic acid

HCID 239828

노트 반응

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기본 정보

CAS: 6300-04-5
표준 SMILES: CN(C)CCC(=O)O
InChIKey: JMOXSQYGVIXBBZ-UHFFFAOYSA-N
분자식: C5H11NO2
평균 분자량: 117.15 g/mol
단동위원소 질량: 117.07897859

이름 및 식별자

우선 이름: 3-(Dimethylamino)propanoic acid
IUPAC: 3-(dimethylamino)propanoic acid
영어명: 3-(Dimethylamino)propanoicacid
분자식: C5H11NO2
분자량: 117.15

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -2.5
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 80

물리화학적 성질

녹는점: 143 · 143-146℃
끓는 점: 140 · 140-142 °C(Press: 0.15 Torr)
밀도: 1.037 · 1.037
저장 조건: Store at room temperature
산도 계수 (pKa): 3.67 · 3.67±0.14(Predicted)
물리적 상태: 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

안전 및 규제

GHS 분류

GHS Classification · 3건

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.