(2,5-디메틸-3-푸릴)메틸아민

(2,5-Dimethylfuran-3-yl)methanamine

HCID 2776162CAS 306934-85-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(CN)c(C)o1
InChIKey: AGQXLVABIKZJJG-UHFFFAOYSA-N
분자식: C7H11NO
평균 분자량: 125.17 g/mol
단동위원소 질량: 125.08406397

이름 및 식별자

우선 이름: (2,5-Dimethylfuran-3-yl)methanamine
IUPAC: (2,5-dimethylfuran-3-yl)methanamine
현지명: (2,5-디메틸-3-푸릴)메틸아민
영어명: (2,5-Dimethyl-3-furyl)methylamine
분자식: C7H11NO
분자량: 125.17

이름 및 동의어

(2,5-dimethylfuran-3-yl)methanamine2,5-Dimethyl-3-furanmethanamineRefChem:394642857-029-4306934-85-0(2,5-dimethyl-3-furyl)methylamine1-(2,5-Dimethylfuran-3-Yl)methanamineMFCD026777013-Furanmethanamine, 2,5-dimethyl-F2189-06823-(Aminomethyl)-2,5-dimethylfuranSCHEMBL657541

이름 더 보기

(2,5-디메틸-3-푸릴)메틸아민BUTTPARK 95\50-60(2,5-Dimethylfur-3-yl)methylamine(2,5-Dimethyl-3-furyl)methylamine90%3-(Aminomethyl)-2,5-dimethylfuran 90%

CHEMBL4554784DTXSID70379856AGQXLVABIKZJJG-UHFFFAOYSA-NSMSSF-0613868GMA93485SBB085610(2,5-Dimethyl-3-furyl) methylamine(2,5-Dimethylfuran-3-yl)methylamine

데이터베이스 식별자

CAS: 306934-85-0
PubChem CID: 2776162
DTXSID: DTXSID70379856
ChEMBL: CHEMBL4554784
EC Number: 857-029-4

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

끓는 점: 42 · 42-56°C/0.1mm
밀도: 1.003 · 1.003±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.14 · 9.14±0.29(Predicted)
물리적 상태: 액체
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.