(4-AMINO-TETRAHYDRO-PYRAN-4-YL)-메탄올

(4-Aminooxan-4-yl)methanol

HCID 18316484CAS 720706-20-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1(CO)CCOCC1
InChIKey: GICNBHGJGXBSBL-UHFFFAOYSA-N
분자식: C6H13NO2
평균 분자량: 131.17 g/mol
단동위원소 질량: 131.09462866

이름 및 식별자

우선 이름: (4-Aminooxan-4-yl)methanol
IUPAC: (4-aminooxan-4-yl)methanol
현지명: (4-AMINO-TETRAHYDRO-PYRAN-4-YL)-메탄올
영어명: (4-Amino-tetrahydro-pyran-4-yl)-methanol
분자식: C6H13NO2
분자량: 131.17

이름 및 동의어

720706-20-7(4-aminooxan-4-yl)methanolDTXSID905927424-AMINOTETRAHYDRO-2H-PYRAN-4-METHANOLRefChem:402401DTXCID80543506819-007-2(4-AMINO-4-TETRAHYDROPYRANYL)METHANOL(4-AMINOTETRAHYDRO-2H-PYRAN-4-YL)METHANOL(4-Amino-tetrahydro-pyran-4-yl)-methanolMFCD041155784-AMINO-4-HYDROXYMETHYL-TETRAHYDRO-2H-PYRAN

이름 더 보기

(4-AMINO-TETRAHYDRO-PYRAN-4-YL)-메탄올4-AMino-4-hydroxyMethyl-t...(4-aminooxan-4-yl)methanol - [A8034]4-AMino-4-hydroxyMethyltetrahydropyran2H-Pyran-4-methanol, 4-aminotetrahydro-

(4-Amino-tetrahydro-2H-pyran-4-yl)methanol(4-aminotetrahydropyran-4-yl)methanol(4-aminotetrahydropyran-4-yl)-methanol(4-amino-tetrahydropyran-4-yl)methanolSCHEMBL13509604-Aminotetrahydropyran-4-methanolGICNBHGJGXBSBL-UHFFFAOYSA-NAKOS005146209

데이터베이스 식별자

CAS: 720706-20-7
PubChem CID: 18316484
DTXSID: DTXSID90592742
EC Number: 819-007-2

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 55.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 89.1

물리화학적 성질

끓는 점: 231 · 231.0±25.0 °C(Predicted)
밀도: 1.074 · 1.074±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 14.85 · 14.85±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): 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.