1-벤질-3-피페리돈염산염수화물

1-Benzyl-3-piperidone hydrochloride hydrate

HCID 3084924

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 346694-73-3
표준 SMILES: Cl.O=C1CCCN(Cc2ccccc2)C1
InChIKey: OVWSFXNSJDMRPV-UHFFFAOYSA-N
분자식: C12H16ClNO
평균 분자량: 225.71 g/mol
단동위원소 질량: 225.0920418

이름 및 식별자

우선 이름: 1-Benzyl-3-piperidone hydrochloride hydrate
IUPAC: 1-benzylpiperidin-3-one;hydrochloride
현지명: 1-벤질-3-피페리돈염산염수화물
영어명: 1-Benzyl-3-piperidone hydrochloride hydrate
분자식: C12H15NO.ClH.H2O
분자량: 243.72982

이름 및 동의어

50606-58-11-Benzyl-3-piperidone Hydrochloride1-Benzyl-3-piperidone HCl hydrateEINECS 256-646-0DTXSID60198654RefChem:429892DTXCID20121145256-646-0688-075-11-benzyl-3-piperidone hydrochloride hydrate346694-73-31-benzylpiperidin-3-one hydrochloride

이름 더 보기

1-벤질-3-피페리돈염산염수화물

3-Piperidinone, 1-(phenylmethyl)-, hydrochloride1-Benzyl-3-piperidinone hydrochlorideMFCD000127911-BENZYLPIPERIDIN-3-ONE HCL1-benzylpiperidin-3-one;hydrochlorideAKOS005259740AS-12347B3419

데이터베이스 식별자

CAS: 346694-73-3、50606-58-1
PubChem CID: 3084924
DTXSID: DTXSID60198654
EC Number: 256-646-0、688-075-1

물성

구조 계산 물성

극성 표면적: 20.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 196

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 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.