2H-피란-3-아민,테트라하이드로-

Oxan-3-amine

HCID 5200320

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 120811-32-7
표준 SMILES: NC1CCCOC1
InChIKey: WUUOEJJGRCQGBQ-UHFFFAOYSA-N
분자식: C5H11NO
평균 분자량: 101.15 g/mol
단동위원소 질량: 101.08406397

이름 및 식별자

우선 이름: Oxan-3-amine
IUPAC: oxan-3-amine
현지명: 2H-피란-3-아민,테트라하이드로-
영어명: 2H-Pyran-3-amine, tetrahydro-
분자식: C5H11NO
분자량: 101.15

이름 및 동의어

oxan-3-amineRefChem:857047675-842-0tetrahydro-2H-pyran-3-amine120811-32-7Tetrahydro-pyran-3-ylamineTetrahydropyran-3-ylamine2H-PYRAN-3-AMINE, TETRAHYDRO-tetrahydropyran-3-amineMFCD07371531Tetrahydro-2H-pyran-3-amine HClALBB-005268

이름 더 보기

2H-피란-3-아민,테트라하이드로-CBI-BB ZERO/0048092H-PYRAN-3-AE,TETRAHYDRO-Tetrahydro-2H-pyran-3-amine hydrochloridetetrahydro-2H-pyran-3-amine(SALTDATA: HCl)

3-aminotetrahydropyran2H-3,4,5,6-tetrahydropyran-3-ylamine3-Aminotetrahydropyran HCl2H-Pyran-3-amine,tetrahydro-(S)-3-Aminotetrahydropyran3-Amino-1H-tetrahydropyrantetrahydro-pyran-3-yl amineSCHEMBL57654

데이터베이스 식별자

CAS: 120811-32-7
PubChem CID: 5200320
DTXSID: DTXSID70409440
EC Number: 675-842-0

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 56

물리화학적 성질

끓는 점: 151.4 · 151.4±33.0 °C(Predicted)
밀도: 0.962 · 0.962±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 액체
산도 계수 (pKa): 9.97 · 9.97±0.20(Predicted)
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.