메틸-(3-페닐-프로필)-아민

N-Methyl-3-phenylpropan-1-amine

HCID 35417CAS 23580-89-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNCCCc1ccccc1
InChIKey: MLHBZVFOTDJTPK-UHFFFAOYSA-N
분자식: C10H15N
평균 분자량: 149.23 g/mol
단동위원소 질량: 149.12044948

이름 및 식별자

우선 이름: N-Methyl-3-phenylpropan-1-amine
IUPAC: N-methyl-3-phenylpropan-1-amine
현지명: 메틸-(3-페닐-프로필)-아민
영어명: Methyl-(3-phenyl-propyl)-amine
분자식: C10H15N
분자량: 149.23

이름 및 동의어

23580-89-4N-methyl-3-phenylpropan-1-amineBENZENEPROPANAMINE, N-METHYL-PM142C9WRQUNII-PM142C9WRQMethyl(phenylpropyl)amine [USP]DTXSID90275301Fluoxetine hydrochloride impurity B [EP]METHYL(PHENYLPROPYL)AMINE [USP IMPURITY]FLUOXETINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]Methyl(phenylpropyl)amine (USP)Fluoxetine hydrochloride impurity B

이름 더 보기

메틸-(3-페닐-프로필)-아민TIMTEC-BB SBB010169Fluoxetine EP IMpurity BFluoxertine EP impurity BFluoxetine impurity B CRSN-Methyl-benzenepropanaMineN-(3-Phenylpropyl)methylamineFluoxetine Related CoMpound B

METHYL(PHENYLPROPYL)AMINE (USP IMPURITY)FLUOXETINE HYDROCHLORIDE IMPURITY B (EP IMPURITY)RefChem:163704DTXCID00226748methyl(3-phenylpropyl)amineMethyl-(3-phenyl-propyl)-amineN-Methyl-3-phenylpropylamine(3-Phenylpropyl)methylamine

데이터베이스 식별자

CAS: 23580-89-4
PubChem CID: 35417
DTXSID: DTXSID90275301
ChEMBL: CHEMBL301755
UNII: PM142C9WRQ
EC Number: 808-830-2
Nikkaji: J259.628H

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 84.9

물리화학적 성질

끓는 점: 227 ℃ · 227℃
밀도: 0.909 · 0.909
인화점: 98 ℃ · 98℃
저장 조건: Refrigerator
용해도: 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.6 · 10.60±0.10(Predicted)
색상: 무색~담황색
BRN: 2354870 · 2354870
주요 응용: 의약품(소분자)
InChI: 1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKey: MLHBZVFOTDJTPK-UHFFFAOYSA-N
SMILES: CNCCCc1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 70 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.