에틸3-아미노-3-페닐프로파노에이트

Ethyl 3-amino-3-phenylpropanoate

HCID 236379CAS 6335-76-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CC(N)c1ccccc1
InChIKey: NUWRDXMXYDWUAN-UHFFFAOYSA-N
분자식: C11H15NO2
평균 분자량: 193.24 g/mol
단동위원소 질량: 193.11027872

이름 및 식별자

우선 이름: Ethyl 3-amino-3-phenylpropanoate
IUPAC: ethyl 3-amino-3-phenylpropanoate
현지명: 에틸3-아미노-3-페닐프로파노에이트
영어명: ethyl 3-amino-3-phenylpropanoate
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

ethyl 3-amino-3-phenylpropanoateNSC 38811DTXSID10284758EC 613-206-6RefChem:594829DTXCID30235909613-206-66335-76-83-Amino-3-phenyl-propionic acid ethyl esterMFCD00749016ethyl 3-amino-3-phenyl-propanoateethyl 3-amino-3-phenylpropionate

이름 더 보기

에틸3-아미노-3-페닐프로파노에이트-propionic acid ethyLEthyl 3-amino-3-phenylpropionate 95+%ETHYL-3-AMINO-3-PHENYLPROPANOATEhyHCLbeta-Aminobenzenepropanoic acid ethyl esterBenzenepropanoic acid, β-amino-, ethyl esterBenzenepropanoic acid, b-aMino-, ethyl ester

ethyl3-amino-3-phenylpropanoateethyl 3-amino-3-phenyl-propanoate hydrochloride3-amino-3-phenylpropanoic acid ethyl esterNSC38811Oprea1_019872Oprea1_452713SCHEMBL1138729DTXSID40902791

데이터베이스 식별자

CAS: 6335-76-8
PubChem CID: 236379
DTXSID: DTXSID10284758
EC Number: 613-206-6
Nikkaji: J1.252.657A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 111 · 111-112℃ (water ethanol )
끓는 점: 155 °C · 155 °C(Press: 13 Torr)
밀도: 1.075 · 1.075±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.75 · 7.75±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (97.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+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.；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.