CAS 175591-22-7 3(3-Methoxyphenyl)-N,N,2-trimethyl pentane-1-amine, (2R,3R)- (HCID 11253328)

기본 정보

CAS: 175591-22-7
표준 SMILES: CC[C@@H](c1cccc(OC)c1)[C@@H](C)CN(C)C
InChIKey: JKVBTSJLQLSTHJ-SWLSCSKDSA-N
분자식: C15H25NO
평균 분자량: 235.36 g/mol
단동위원소 질량: 235.19361442

이름 및 식별자

우선 이름: 3(3-Methoxyphenyl)-N,N,2-trimethyl pentane-1-amine, (2R,3R)-
IUPAC: (2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
현지명: (베타R,감마R)-감마-에틸-3-메톡시-N,N,베타-트리메틸벤젠프로판아민
영어명: (betaR,gammaR)-gamma-Ethyl-3-methoxy-N,N,beta-trimethylbenzenepropanamine
분자식: C15H25NO
분자량: 235.37

이름 및 동의어

175591-22-7UNII-8DWG2GHS0O8DWG2GHS0OBenzenepropanamine, gamma-ethyl-3-methoxy-N,N,beta-trimethyl-, (betaR,gammaR)-(2R,3R)-3(3-Methoxyphenyl)-N,N,2-trimethyl pentane-1-amine3(3-Methoxyphenyl)-N,N,2-trimethyl pentane-1-amine, (2R,3R)-DTXSID70170002RefChem:90549DTXCID6092493BENZENEPROPANAMINE, .GAMMA.-ETHYL-3-METHOXY-N,N,.BETA.-TRIMETHYL-, (.BETA.R,.GAMMA.R)-(2R,3R)-3-(3-Methoxyphenyl)-N,N,2-trimethylpentan-1-amineTapentadol EP Impurity E

이름 더 보기

(베타R,감마R)-감마-에틸-3-메톡시-N,N,베타-트리메틸벤젠프로판아민Tapentadol InterMediateTapentadol EP Impurity E ((1R,2R)-Tapentadol-O-Methyl)(2R,3R)-3-(3-Methoxyphenyl)-N,N-2-trimethylpentanamine(2R, 3R) -3- (3-methoxyphenyl) - N, N, 2-trimethylpentamineBenzenepropanaMine, g-ethyl-3-Methoxy-N,N,b-triMethyl-, (bR,gR)-Benzenepropanamine, γ-ethyl-3-methoxy-N,N,β-trimethyl-, (βR,γR)-(2S,3R)-1-(DiMethylaMino)-3-(3-Methoxyphenyl)-2-Methyl-3-pentanol(betaR,gammaR)-gamma-Ethyl-3-methoxy-N,N,beta-trimethylbenzenepropamine

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 308.9 · 308.9±35.0 °C(Predicted)
밀도: 0.927 · 0.927
산도 계수 (pKa): 9.46 · 9.46±0.28(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.