N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine

HCID 136624CAS 784-57-6

기본 정보

표준 SMILES: Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIKey: CNVOJNRNRNAOOP-UHFFFAOYSA-N
분자식: C11H13F3N2O
평균 분자량: 246.23 g/mol
단동위원소 질량: 246.09799753

이름 및 식별자

우선 이름: N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
IUPAC: 2-morpholin-4-yl-5-(trifluoromethyl)aniline
영어명: 3-Amino-4-(4-morpholino)benzotrifluoride
분자식: C11H13F3N2O
분자량: 246.23

이름 및 동의어

784-57-62-(morpholin-4-yl)-5-(trifluoromethyl)anilinen-[2-amino-4-(trifluoromethyl)phenyl]morpholineN-(2-Amino-4-(trifluoromethyl)phenyl)morpholineDTXSID10229063RefChem:824879DTXCID30151554670-893-52-morpholino-5-(trifluoromethyl)aniline2-morpholin-4-yl-5-(trifluoromethyl)aniline3-amino-4-(4-morpholino)benzotrifluoride2-(4-morpholinyl)-5-(trifluoromethyl)aniline

이름 더 보기

AKOS BB-8567AKOS B033323AURORA 23185ASISCHEM U96976Compound Fr13574BUTTPARK 44\09-68AKOS BBS-00002875OTAVA-BB BB72165123093-Amino-4-(Morpholino)Benzotrifluori

MFCD00042160n-[2-amino-4-(trifluoromethyl)phenyl]-morpholineN-(2-Amino-4-trifluoromethylphenyl)morpholine2-morpholin-4-yl-5-(trifluoromethyl)phenylamineEnamine_0010602-Morpholin-4-yl-5-trifluoromethyl-phenylamine4-[2-amino-4-(trifluoromethyl)phenyl]morpholineMLS001007011

데이터베이스 식별자

CAS: 784-57-6
PubChem CID: 136624
DTXSID: DTXSID10229063
ChEMBL: CHEMBL1492269
EC Number: 670-893-5
Nikkaji: J265.922K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 38.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 254

실험 및 물리화학적 성질

Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 127 · 127-128°C
저장 조건: 2 · 2-8°C(protect from light)
수용성: 물에 불용성.
BRN: 213147 · 213147

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302+H312 (84.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；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]；H331 (84.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (15.6%): 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, P316, 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 45 reports by companies from 5 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. 3 (84.4%)；Acute Tox. 4 (15.6%)；STOT SE 3 (100%)