메틸-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINE

Tetrahydro-N-methyl-2H-pyran-4-methanamine

HCID 22225668

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 439081-52-4
표준 SMILES: CNCC1CCOCC1
InChIKey: WMBCUXKYKVTJRF-UHFFFAOYSA-N
분자식: C7H15NO
평균 분자량: 129.2 g/mol
단동위원소 질량: 129.1153641

이름 및 식별자

우선 이름: Tetrahydro-N-methyl-2H-pyran-4-methanamine
IUPAC: N-methyl-1-(oxan-4-yl)methanamine
현지명: 메틸-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINE
영어명: Methyl-(tetrahydro-pyran-4-ylmethyl)-amine
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

439081-52-4methyl[(oxan-4-yl)methyl]amineDTXSID401266051TETRAHYDRO-N-METHYL-2H-PYRAN-4-METHANAMINEmethyl((oxan-4-yl)methyl)amineRefChem:897156DTXCID001696703828-439-0Methyl-(tetrahydropyran-4-ylmethyl)aminemethyl-(tetrahydro-pyran-4-ylmethyl)-aminemethyl(oxan-4-ylmethyl)amineN-methyl-1-(oxan-4-yl)methanamine

이름 더 보기

메틸-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINECompound Fr14486N-methyl-1-(4-oxanyl)methanamineN-Methyltetrahydro-4-pyranmethanamineN-Methyl-tetrahydropyran-4-methanamineN-Methyl(tetrahydropyran-4-yl)MethanaMine4-[(Methylamino)methyl]tetrahydro-2H-pyranN-methyl-(tetrahydropyran-4-ylmethyl)amine

4-[(Methylamino)methyl]tetrahydropyranMFCD06739009N-METHYL-1-(TETRAHYDRO-2H-PYRAN-4-YL)METHANAMINEN-METHYL(TETRAHYDRO-2H-PYRAN-4-YL)METHANAMINEN-Methyl(tetrahydro-2H-pyran-4-yl) methanamineN-METHYL-1-TETRAHYDROPYRAN-4-YL-METHANAMINE2H-PYRAN-4-METHANAMINE, TETRAHYDRO-N-METHYL-methyl[(

데이터베이스 식별자

CAS: 439081-52-4
PubChem CID: 22225668
DTXSID: DTXSID401266051
EC Number: 828-439-0

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 69.3

물리화학적 성질

끓는 점: 179.8 · 179.8±13.0 °C(Predicted)
밀도: 0.897 · 0.897±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): 10.27 · 10.27±0.10(Predicted)
InChI: 1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
InChIKey: WMBCUXKYKVTJRF-UHFFFAOYSA-N
SMILES: CNCC1CCOCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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.