4-사이클로헥실아닐린

4-Cyclohexylbenzenamine

HCID 80764CAS 6373-50-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(C2CCCCC2)cc1
InChIKey: JLNMBIKJQAKQBH-UHFFFAOYSA-N
분자식: C12H17N
평균 분자량: 175.27 g/mol
단동위원소 질량: 175.13609954

개요

analgesic activity

이름 및 식별자

우선 이름: 4-Cyclohexylbenzenamine
IUPAC: 4-cyclohexylaniline
현지명: 4-사이클로헥실아닐린
영어명: 4-Cyclohexylaniline
분자식: C12H17N
분자량: 175.27

이름 및 동의어

4-Cyclohexylaniline6373-50-84-cyclohexylbenzenamine4-cyclohexylphenylamineZED2J2DT8RDTXSID60213154RefChem:522332DTXCID60135645228-918-9Benzenamine, 4-cyclohexyl-Aniline, p-cyclohexyl-p-Cyclohexylaniline

이름 더 보기

4-사이클로헥실아닐린BUTTPARK 92\50-684-Cyclohexylaniline,97%4-cyclohexylibenzenamineBenzenaMine,4-cyclohexyl-(p-Cyclohexylphenyl)amine

(4-Cyclohexylphenyl)amineMFCD000014544-Cyclohexyl-phenylamine4-cyclohexyl phenylamineEINECS 228-918-9BBL023570STL353499BP-21493

데이터베이스 식별자

CAS: 6373-50-8
PubChem CID: 80764
DTXSID: DTXSID60213154
ChEMBL: CHEMBL4780820
UNII: ZED2J2DT8R
EC Number: 228-918-9
Nikkaji: J111.190F

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure

LogP3.65

물리화학적 성질

녹는점: 53 °C · 53 °C
끓는 점: 166 °C · 166 °C
밀도: 1.013 · 1.013
굴절률: 1.561 · 1.5610 (estimate)
인화점: 110 °C · 110°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 4.96 · 4.96±0.10(Predicted)
수용성: 물에 불용성.
BRN: 2965799 · 2965799
InChI: InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2
InChIKey: JLNMBIKJQAKQBH-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C2CCCCC2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)

안전 데이터

ridadr: 2811
HS 번호: 2921490090
risk_code: 36/37/38
safety_code: 26-37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful

화학 및 산업

응용 분야 · 1건

용도4-Cyclohexylaniline is used as a starting material for the preparation of 1-cyclohexyl-4-nitroso-benzene. It is used as a reactant in nucleophilic acylation to form N-(4-cyclohexylphenyl)acetamide by reacting with acetyl halides. It is also involved in the synthesis of N-(4-cyclohexylphenyl)-2-morpholino-acetamide by reaction with 2-morpholinoacetyl fluoride. Further, it reacts with 4-bromo-4-oxo-butanoic acid to get 4-[(4-cyclohexylphenyl)amino]-4-oxo-butanoic acid.