4-(헥사하이드로-1H-아제핀-1-일)아닐린

Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-

HCID 93643CAS 57356-18-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(N2CCCCCC2)cc1
InChIKey: RDUONPQXZRHVKQ-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-
IUPAC: 4-(azepan-1-yl)aniline
현지명: 4-(헥사하이드로-1H-아제핀-1-일)아닐린
영어명: 4-(hexahydro-1H-azepin-1-yl)aniline
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

57356-18-0Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-4-(Hexahydro-1H-azepin-1-yl)anilineN-(4'-Aminophenyl)hexamethylenimineEINECS 260-692-7DTXSID0069177RefChem:561862DTXCID9042203260-692-74-(azepan-1-yl)aniline4-(1-Azepanyl)aniline(4-azepan-1-ylphenyl)amine

이름 더 보기

4-(헥사하이드로-1H-아제핀-1-일)아닐린1-(4-Aminophenyl)azepane4-(Azepan-1-yl)aniline95%4-Azepan-1-ylaniline, HCl4-(Azepan-1-yl)aniline 95%Benzenamine,4-(hexahydro-1H-azepin-1-yl)-4-[(Hexahydro-1H-azepin)-1-yl]benzenamine(4-azepan-1-ylphenyl)amine(SALTDATA: 2HCl)1-(4-Aminophenyl)azepane, 1-(4-Aminophenyl)hexahydro-1H-azepine, 1-(4-Aminophenyl)homopiperidine

MFCD015364534-Azepan-1-yl-phenylamine4-azaperhydroepinylphenylamineMLS000068952SMR0000108374-azepanylaniline4-azepan-1-ylanilineOprea1_115278

데이터베이스 식별자

CAS: 57356-18-0
PubChem CID: 93643
DTXSID: DTXSID0069177
ChEMBL: CHEMBL1198356
EC Number: 260-692-7
Nikkaji: J349.141B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 154

물리화학적 성질

끓는 점: 359.6 · 359.6±25.0 °C(Predicted)
밀도: 1.047 · 1.047±0.06 g/cm3(Predicted)
저장 조건: -20 °C, · -20°C, protect from light
산도 계수 (pKa): 7.8 · 7.80±0.40(Predicted)
EPA: 4 · Benzenamine, 4-(hexahydro-1H-azepin-1-yl)- (57356-18-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

tsca: TSCA listed
HS 번호: 2933998090
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-(hexahydro-1H-azepin-1-yl)-: INACTIVE

공급사9 곳

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

武汉凯威斯科技有限公司027-67849912 · [email protected]

Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]