(2-메틸-3-퓨릴)메틸아민

1-(2-Methylfuran-3-yl)methanamine

HCID 18525866

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35801-15-1
표준 SMILES: Cc1occc1CN
InChIKey: JBJAKJOQAZHEJQ-UHFFFAOYSA-N
분자식: C6H9NO
평균 분자량: 111.14 g/mol
단동위원소 질량: 111.06841391

개요

(2-Methyl-3-furyl)methylamine is an aralkylamine.

이름 및 식별자

우선 이름: 1-(2-Methylfuran-3-yl)methanamine
IUPAC: (2-methylfuran-3-yl)methanamine
현지명: (2-메틸-3-퓨릴)메틸아민
영어명: (2-Methyl-3-furyl)methylamine
분자식: C6H9NO
분자량: 111.14

이름 및 동의어

35801-15-11-(2-Methylfuran-3-yl)methanamineDTXSID20594618RefChem:223734DTXCID60545381689-281-4(2-methylfuran-3-yl)methanamine(2-methyl-3-furyl)methylamineC-(2-Methyl-furan-3-yl)-methylamineMFCD08435914(2-methyl-3-furyl)methanamineSCHEMBL702163

이름 더 보기

(2-메틸-3-퓨릴)메틸아민Compound Fr145551-(2-Methylfuran-3-yl)methanamine - [M92796]

3-Furanmethanamine, 2-methyl-orb3170254(2-methyluran-3-yl)methanamineCHEMBL4521494SCHEMBL17956866CHEBI:194968JBJAKJOQAZHEJQ-UHFFFAOYSA-N(2-Methyl-furan-3-yl)methylamine

데이터베이스 식별자

CAS: 35801-15-1
PubChem CID: 18525866
DTXSID: DTXSID20594618
ChEMBL: CHEMBL4521494
ChEBI: CHEBI:194968
EC Number: 108-513-2、689-281-4

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

물리화학적 성질

끓는 점: 159.9 · 159.9±25.0 °C(Predicted)
밀도: 1.024 · 1.024±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 9.12 · 9.12±0.29(Predicted)
물리적 상태: solid
InChI: 1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h2-3H,4,7H2,1H3
InChIKey: JBJAKJOQAZHEJQ-UHFFFAOYSA-N
SMILES: Cc1occc1CN

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, 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.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사18 곳

云南苏理生物医药科技有限公司0871-68355600 18787766125

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

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