CAS 112914-13-3 2-Aminomethyl-4-(4-fluorobenzyl)morpholine (HCID 10242735)

기본 정보

CAS: 112914-13-3
표준 SMILES: NCC1CN(Cc2ccc(F)cc2)CCO1
InChIKey: JHSPPBBJOLKJDH-UHFFFAOYSA-N
분자식: C12H17FN2O
평균 분자량: 224.27 g/mol
단동위원소 질량: 224.13249138

이름 및 식별자

우선 이름: 2-Aminomethyl-4-(4-fluorobenzyl)morpholine
IUPAC: [4-[(4-fluorophenyl)methyl]morpholin-2-yl]methanamine
현지명: 4-[(4-플루오로페닐)메틸]-2-모르폴린메탄아민
영어명: 4-[(4-Fluorophenyl)methyl]-2-morpholinemethanamine
분자식: C12H17FN2O
분자량: 224.27

이름 및 동의어

112914-13-32-Aminomethyl-4-(4-fluorobenzyl)morpholineRefChem:10622472-Aminomethy-4-(4-Fluorobenzyl)Morpholine(4-(4-fluorobenzyl)morpholin-2-yl)methanamine4-[(4-Fluorophenyl)Methyl]-2-Morpholinemethanamine2-(AMINOMETHYL)-4-(4-FLUOROBENZYL)MORPHOLINEMFCD06658145[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methanamine[4-(4-Fluorobenzyl)morpholin-2-yl]methylamine1-{4-[(4-Fluorophenyl)methyl]morpholin-2-yl}methanamine{4-[(4-fluorophenyl)methyl]morpholin-2-yl}methanamine

이름 더 보기

4-[(4-플루오로페닐)메틸]-2-모르폴린메탄아민2-Aminomethy-4-(4-fluorobenzvlmoroholine2-Aminoethy-4-(4-Fluorobenzyl)-morpholine4-[(4-Fluorophenyl)methyl]-2-morpholinemethamine2-Aminomethy-4-(4-fluorobenzyl)morpholine, >=98%2-Morpholinemethanamine,4-[(4-fluorophenyl)methyl]-[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methanamine

DS-0450[4-(4-Fluorobenzyl)-2-morpholinyl]methanamine{4-[(4-fluorophenyl)methyl]morpholin-2-yl}methylamine2-Morpholinemethanamine, 4-[(4-fluorophenyl)methyl]-[4-[(4-fluorophenyl)metSCHEMBL1502307DTXSID00437216JHSPPBBJOLKJDH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 112914-13-3
PubChem CID: 10242735
DTXSID: DTXSID00437216
EC Number: 601-212-1
Nikkaji: J1.641.959A

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 38.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 207

물리화학적 성질

끓는 점: 317.4 · 317.4±27.0 °C(Predicted)
밀도: 1.145 · 1.145±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.37 · 9.37±0.29(Predicted)
물리적 상태: 기름
색상: 연한 노란색에서 밝은 노란색까지
InChI: InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-12(7-14)9-15/h1-4,12H,5-9,14H2
InChIKey: JHSPPBBJOLKJDH-UHFFFAOYSA-N
SMILES: N1(CC2=CC=C(F)C=C2)CCOC(CN)C1