N-벤질-4-메톡시아닐린

N-Benzyl-4-methoxyaniline

HCID 519413

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17377-95-6
표준 SMILES: COc1ccc(NCc2ccccc2)cc1
InChIKey: LIJJGMDKVVOEFT-UHFFFAOYSA-N
분자식: C14H15NO
평균 분자량: 213.27 g/mol
단동위원소 질량: 213.1153641

이름 및 식별자

우선 이름: N-Benzyl-4-methoxyaniline
IUPAC: N-benzyl-4-methoxyaniline
현지명: N-벤질-4-메톡시아닐린
영어명: N-BENZYL-4-METHOXYANILINE
분자식: C14H15NO
분자량: 213.27

이름 및 동의어

N-Benzyl-4-methoxyaniline17377-95-6N-Benzyl-p-anisidineDTXSID50334009RefChem:162940DTXCID20285099677-180-8LIJJGMDKVVOEFT-UHFFFAOYSA-NBenzenemethanamine, N-(4-methoxyphenyl)-MFCD00059298N-Benzyl-N-(4-methoxyphenyl)amineN-benzyl-4-methoxy-aniline

이름 더 보기

N-벤질-4-메톡시아닐린BenzylanisidineN-Benzyl-p-anisidinn-benzyl-4-anisidineN-Benzyl-p-anisidine >N-BENZYL-P-METHOXYANILINEN-BENZYL-4-METHOXYBENZENAMINEBENZYL-(4-METHOXY-PHENYL)-AMINE

(4-methoxyphenyl)benzylamineN-benzyl-p-methoxyanilineN-(4-methoxyphenyl)benzylamineN-(4-methoxyphenyl)-N-benzylamineN-benzyl-para-anisidineCambridge id 5107549Oprea1_078973CHEMBL237233

데이터베이스 식별자

CAS: 17377-95-6
PubChem CID: 519413
DTXSID: DTXSID50334009
ChEMBL: CHEMBL237233
EC Number: 677-180-8
Nikkaji: J151.169F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 181

물리화학적 성질

녹는점: 48 · 48-50°C
끓는 점: 138 · 138-140°C 0,1mm
밀도: 1.101 · 1.101±0.06 g/cm3(Predicted)
인화점: 138 · 138-140°C/0.1mm
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 4.62 · 4.62±0.20(Predicted)
물리적 상태: powder to crystal
색상: 밝은 노란색에서 갈색까지
BRN: 1877781 · 1877781

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)