기본 정보
- CAS
4629-78-1- 표준 SMILES
CC1CNCCC1=O.Cl- InChIKey
GCQBLKABRBKHLY-UHFFFAOYSA-N- 분자식
- C6H12ClNO
- 평균 분자량
- 149.62 g/mol
- 단동위원소 질량
- 149.0607417
이름 및 식별자
- 우선 이름
- 3-Methyl-piperidin-4-one hydrochloride
- IUPAC
- 3-methylpiperidin-4-one;hydrochloride
- 현지명
- 3-메틸피페리딘-4-온염산염
- 영어명
- 3-Methylpiperidin-4-one hydrochloride
- 분자식
- C6H12ClNO
- 분자량
- 149.62
이름 및 동의어
3-Methyl-piperidin-4-one hydrochlorideRefChem:504115676-235-33-methylpiperidin-4-one hydrochloride4629-78-1MFCD073699673-methyl-4-piperidone hydrochloride3-METHYL-PIPERIDIN-4-ONE HCL3-methylpiperidin-4-one;hydrochloride3-Methylpiperidin-4-one, HCl4-PIPERIDINONE, 3-METHYL-, HYDROCHLORIDE3-Methylpiperidin-4-one HCl
이름 더 보기
3-메틸피페리딘-4-온염산염3-Methoxypiperidin-4-one hydrochloride3-methyl-4-Piperidinone hydrochloride (1:1)4-Piperidinone, 3-methyl-, hydrochloride (1:1)3-Methylpiperidin-4-one hydrochloride - [M14880]3-Methyl-piperidin-4-one hydrochloride, CAS 4629-78-1
SCHEMBL2379418DTXSID50627867GCQBLKABRBKHLY-UHFFFAOYSA-NCS-D00463-methylpiperidin-4-onehydrochlorideAKOS007930654PB23474AC-29528
데이터베이스 식별자
- CAS
4629-78-1- PubChem CID
- 22728864
- DTXSID
DTXSID50627867- EC Number
- 676-235-3
물성
구조 계산 물성
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 101
물리화학적 성질
- 녹는점
- 176.5 · 176.5-177 °C
- 저장 조건
- Inert atmosphere,Room Temperature
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (33.3%): 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 3 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
응용 분야
용도3-Methylpiperidin-4-one hydrochloride is a chemical reagent that can be used as a pharmaceutical intermediate or organic synthesis reagent.
상·하류 제품 정보
상류 원료
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