3-Methoxy-N-methylbenzylamine

HCID 5152225CAS 41789-95-1

기본 정보

표준 SMILES: CNCc1cccc(OC)c1
InChIKey: FIFKRPFWLHBMHL-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 3-Methoxy-N-methylbenzylamine
IUPAC: 1-(3-methoxyphenyl)-N-methylmethanamine
영어명: 3-Methoxy-N-methylbenzylamine 97
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

41789-95-13-Methoxy-N-methylbenzylamineDTXSID90408899RefChem:280480DTXCID90359751627-600-01-(3-methoxyphenyl)-N-methylmethanamineN-methyl-3-methoxybenzylamineMFCD04618244[(3-methoxyphenyl)methyl](methyl)amine3-METHOXY-N-METHYLBENZYLAMINE 97(3-Methoxyphenyl)-N-MethylMethanaMine

이름 더 보기

Diclofensine Impurity 1(3-methoxybenzyl)methylamineN-(3-METHOXYBENZYL)-N-METHYLAMINE3-Methoxy-N-methylbenzylamine 973-Methoxy-1-(MethylaMinoMethyl)benzene

1-(3-methoxyphenyl)-N-methylmethanamine hydrochloride[(3-methoxyphenyl)methyl]methylamine1-(3-methoxyphenyl)-N-methyl-methanamine(3-Methoxybenzyl)methylamine; 1-(3-Methoxyphenyl)-N-methylmethanamine; 3-Methoxy-1-(methylaminomethyl)benzene; N-(3-Methoxybenzyl)-N-methylamine; N-Methyl-1-[3-(methoxy)phenyl]methanamine; N-Methyl-3-methoxybenzylamine3-METHOXY-N-METHYLBESCHEMBL297410N-methyl-3-methoxy-benzylamineSCHEMBL2076794

데이터베이스 식별자

CAS: 41789-95-1
PubChem CID: 5152225
DTXSID: DTXSID90408899
EC Number: 627-600-0
Nikkaji: J2.696.461J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 106

물리화학적 성질

끓는 점: 130 · 130-133 °C28 mm Hg(lit.)
밀도: 1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5290(lit.)
인화점: 212 °F · 212 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄, 에틸 아세테이트 및 메탄올에 용해됩니다.
산도 계수 (pKa): 9.65 · 9.65±0.10(Predicted)
물리적 상태: 액체
InChI: 1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3
InChIKey: FIFKRPFWLHBMHL-UHFFFAOYSA-N
SMILES: CNCc1cccc(OC)c1

화학적 성질

Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)

안전 데이터

wgk: 2
HS 번호: 2922290090
risk_code: 22-41-43
hazard_code: Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

연결된 노트

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