3,3-디페닐프로필아민

3,3-Diphenylpropylamine

HCID 79698CAS 5586-73-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCC(c1ccccc1)c1ccccc1
InChIKey: KISZTEOELCMZPY-UHFFFAOYSA-N
분자식: C15H17N
평균 분자량: 211.3 g/mol
단동위원소 질량: 211.13609954

개요

has antiextensor effect & worsens clonic seizure produced by pentylenetetrazole; RN given refers to parent cpd

이름 및 식별자

우선 이름: 3,3-Diphenylpropylamine
IUPAC: 3,3-diphenylpropan-1-amine
현지명: 3,3-디페닐프로필아민
영어명: 3,3-Diphenylpropylamine
분자식: C15H17N
분자량: 211.3

이름 및 동의어

3,3-Diphenylpropylamine5586-73-23-3-DiphenylpropylamineC31E561S64NSC-137832J56.243BDTXSID30204458IEM-2011RefChem:485623DTXCID30126949226-984-33,3-diphenylpropan-1-amine

이름 더 보기

3,3-디페닐프로필아민3,3-diphenylpropylammoniumIEM 2011TIMTEC-BB SBB000517RARECHEM AL BW 0746DiphenylpropylaMineLABOTEST-BB LT000530923-diphenylpropyl amine3,3-diPHENYLPROPOLAMINE

Propylamine, 3,3-diphenyl-Benzenepropanamine, .gamma.-phenyl-MFCD00008202UNII-C31E561S64EINECS 226-984-3NSC137832NSC 1378323.3-diphenylpropylamine

데이터베이스 식별자

CAS: 5586-73-2
PubChem CID: 79698
DTXSID: DTXSID30204458
ChEMBL: CHEMBL609579
UNII: C31E561S64
EC Number: 226-984-3
Nikkaji: J56.243B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 29 · 29-31 °C (lit.)
끓는 점: 166 °C · 166°C 2mm
밀도: 1.0382 · 1.0382 (rough estimate)
굴절률: 20 · n20/D 1.583(lit.)
인화점: 230 °F · >230 °F
저장 조건: Room Temperature, Under Inert Atmosphere
용해도: DMSO(약간), 메탄올(약간)에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 9.91 · 9.91±0.13(Predicted)
색상: 노란색에서 밝은 갈색까지
BRN: 1958595 · 1958595
InChI: 1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKey: KISZTEOELCMZPY-UHFFFAOYSA-N
SMILES: NCCC(c1ccccc1)c2ccccc2
NIST: 3 · 3,3-Diphenylpropylamine(5586-73-2)

화학적 성질

clear yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.

Warning

H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 10-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7422

Hazard Classes and CategoriesSkin Irrit. 2 (95.9%)

안전 데이터

wgk: 3
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,3-Diphenylpropylamine is a metabolite of Prenylamine (P712800). 3,3-Diphenylpropylamine showed antiextensor effects as well as neuroexcitatory effects and antagonized barbital-induced loss of the righting reflex.