N-Methylbenzeneethanamine (HCID 11503)

개요

N-methylphenethylamine has been reported in Senegalia berlandieri, Senegalia roemeriana, and other organisms with data available.

이름 및 식별자

우선 이름: N-Methylbenzeneethanamine
IUPAC: N-methyl-2-phenylethanamine
영어명: N-Methylphenethylamine
분자식: C9H13N
분자량: 135.21

이름 및 동의어

N-Methylphenethylamine589-08-2N-Methyl-2-phenylethanamineBenzeneethanamine, N-methyl-N-Methyl-N-(2-phenylethyl)amineN-methyl-2-phenyl-ethanamineN-Methylbenzeneethanaminen-methylphenylethylamineNSC-11395702N4V81704DTXSID10207629RefChem:830761

이름 더 보기

WIN 5553JACS-589-08-2Phenethylmethylaminen-methyl-phenethylamin

DTXCID10130120209-632-3N-Methyl-2-phenylethylamineN-Methyl-phenethylamine1-Phenyl-2-methylaminoethaneMethyl(2-Phenylethyl)AmineMethyl-phenethyl-aminePHENETHYLAMINE, N-METHYL-

데이터베이스 식별자

CAS: 589-08-2
PubChem CID: 11503
DTXSID: DTXSID10207629
ChEMBL: CHEMBL45763
UNII: 02N4V81704
EC Number: 209-632-3
Nikkaji: J53.745D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 74.8

실험 및 물리화학적 성질

DrugsDEA NFLIS-Drug Category -> Phenethylamines

LogP1.68

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 116 °C · 116°C (estimate)
끓는 점: 203 °C · 203 °C(lit.)
밀도: 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.516(lit.)
인화점: 165 °F · 165 °F
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.31 · pKa 10.31(H2O,t undefined,I undefined) (Uncertain)
물리적 상태: 액체
색상: 무색투명~연황색
Specific Gravity: 0.93 · 0.930
BRN: 636347 · 636347
InChI: 1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey: SASNBVQSOZSTPD-UHFFFAOYSA-N
SMILES: CNCCc1ccccc1

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
rtecs: SH9625000
ridadr: UN 2735 8/PG 3
HS 번호: 29214900
risk_code: 34-42/43-52/53-41-22
hazard_code: C,Xn
safety_code: 26-36/37/39-45-61-39
위험 등급: 8
F 고인화성물질: 10-34
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도N-Methyl-phenethylamine can be used as a reactant: To synthesize N-methyl-phenethylamine based tertiary amines by reacting with different alkyl halides in the presence of triphenylphosphine (TPP) and diisopropylazocarboxylate (DIAD) via N-alkylation reaction. To fabricate photochemically stable, super-sensitive, and highly selective fluorescent film for the detection of N-methamphetamine (an illicit drug). To prepare biologically active squaric acid N-hydroxylamide amide derivatives.