2,3-디메톡시페닐에틸아민

2,3-Dimethoxyphenethylamine

HCID 137858

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3213-29-4
표준 SMILES: COc1cccc(CCN)c1OC
InChIKey: XKBUFTXNLBWTFP-UHFFFAOYSA-N
분자식: C10H15NO2
평균 분자량: 181.23 g/mol
단동위원소 질량: 181.11027872

이름 및 식별자

우선 이름: 2,3-Dimethoxyphenethylamine
IUPAC: 2-(2,3-dimethoxyphenyl)ethanamine
현지명: 2,3-디메톡시페닐에틸아민
영어명: 2,3-Dimethoxyphenethylamine
분자식: C10H15NO2
분자량: 181.23

이름 및 동의어

2,3-Dimethoxyphenethylamine3213-29-4LUW5Z6DJ9QDTXSID10185913RefChem:81805DTXCID50108404625-549-9XKBUFTXNLBWTFP-UHFFFAOYSA-N2-(2,3-Dimethoxyphenyl)ethanamine2-(2,3-dimethoxyphenyl)ethan-1-amine2,3-DimethoxybenzeneethanamineMFCD00060613

이름 더 보기

2,3-디메톡시페닐에틸아민RARECHEM AL BW 0356Xylose Impurity 13-13C1B2,3-Dimethoxyphenylethylamine2,3-Dimethoxyphenethylamine 97%2,3-Dimethoxyphenethylamine ,98%2-(2,3-dimethoxyphenyl)ethylamine

23-DimethoxyphenethylamineBenzeneethanamine, 2,3-dimethoxy-Dopamine Impurity 52UNII-LUW5Z6DJ9Qdimethoxybenzeneethan-amine2,3-dimethoxy phenethylamineSCHEMBL151944SCHEMBL6856486

데이터베이스 식별자

CAS: 3213-29-4
PubChem CID: 137858
DTXSID: DTXSID10185913
UNII: LUW5Z6DJ9Q
EC Number: 625-549-9
Nikkaji: J579.370J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 141

물리화학적 성질

끓는 점: 261 · 261-262 °C(lit.)
밀도: 1.178 g/mL · 1.178 g/mL
굴절률: 20 · n20/D 1.5320(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 9.72 · 9.72±0.10(Predicted)
Specific Gravity: 1.09 · 1.09
InChI: InChI=1S/C10H15NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6-7,11H2,1-2H3
InChIKey: XKBUFTXNLBWTFP-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=CC(OC)=C1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 29214990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
위험 등급: AIR SENSITIVE, CORROSIVE
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8B - Non-combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2,3-Dimethoxyphenethylamine may be used in the synthesis of N-(2,3-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide and N-(3,4-dimethoxyphenethyl)-phenyl acetamide.

일반 설명2,3-Dimethoxyphenethylamine is identified as one of the components in bamboo (Phyllostachys pubescens) plant extract by gas chromatographic- mass spectrometric analysis. 1-(2,3-dimethoxyphenyl)-2-nitroethene undergoes reduction reaction with lithium aluminum hydride (LiAlH4) in the presence of dry tetrahydrofuran to yield 2,3-dimethoxyphenethylamine.