(4-아미노-페닐)-MORPHOLIN-4-YL-메탄온

4-(Morpholine-4-carbonyl)aniline

HCID 577815CAS 51207-86-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(C(=O)N2CCOCC2)cc1
InChIKey: WEHVQIQNGXWTME-UHFFFAOYSA-N
분자식: C11H14N2O2
평균 분자량: 206.24 g/mol
단동위원소 질량: 206.10552769

이름 및 식별자

우선 이름: 4-(Morpholine-4-carbonyl)aniline
IUPAC: (4-aminophenyl)-morpholin-4-ylmethanone
현지명: (4-아미노-페닐)-MORPHOLIN-4-YL-메탄온
영어명: (4-Amino-phenyl)-morpholin-4-yl-methanone
분자식: C11H14N2O2
분자량: 206.24

이름 및 동의어

(4-aminophenyl)(morpholino)methanone4-(morpholine-4-carbonyl)anilineRefChem:516444672-072-751207-86-4p-Aminobenzoylmorpholine(4-aminophenyl)-morpholin-4-ylmethanoneMFCD001587884-aminobenzoylmorpholineMorpholine, 4-(4-aminobenzoyl)-4-(morpholin-4-ylcarbonyl)aniline(4-Amino-phenyl)-morpholin-4-yl-methanone

이름 더 보기

(4-아미노-페닐)-MORPHOLIN-4-YL-메탄온AKOS B000462N-(p-AMinobenBUTTPARK 19\02-43TIMTEC-BB SBB000456ART-CHEM-BB B000462CHEMBRDG-BB 30004624-(4-AMinobenzoyl)Morpholine4-(p-AMinobenzoyl)Morpholine4-AMINOBENZOIC ACID, MORPHOLIDE

(4-aminophenyl)morpholin-4-yl-methanoneDTXSID30342021HMS1537J104-(morpholin-4-ylcarbonyl)phenylamineAKOS000111604CS-W021099(4-Aminophenyl)morpholin-4-ylmethanone(4-aminophenyl)(morpholin-4-yl)methanone

데이터베이스 식별자

CAS: 51207-86-4
PubChem CID: 577815
DTXSID: DTXSID30342021
EC Number: 672-072-7
Nikkaji: J1.310.823D

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 132 · 132-135°C
끓는 점: 426.9 · 426.9±40.0 °C(Predicted)
밀도: 1.228 · 1.228±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 3.43 · 3.43±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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]；H319 (100%): Causes serious eye irritation [Warning 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+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 2 reports by companies from 2 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 Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2934999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도(4-Amino-Phenyl)-Morpholin-4-yl-Methanone is an morpholine derivative used in the preparation of tyrosine kinase inhibitors and other biologically active agents.