4,4-디메틸피페리딘

4,4-Dimethylpiperidine

HCID 138100CAS 4045-30-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CCNCC1
InChIKey: IECMOFZIMWVOAS-UHFFFAOYSA-N
분자식: C7H15N
평균 분자량: 113.2 g/mol
단동위원소 질량: 113.12044948

이름 및 식별자

우선 이름: 4,4-Dimethylpiperidine
IUPAC: 4,4-dimethylpiperidine
현지명: 4,4-디메틸피페리딘
영어명: 4,4-dimethylpiperidine
분자식: C7H15N
분자량: 113.2

이름 및 동의어

4,4-DimethylpiperidineRefChem:507456810-568-94045-30-1Piperidine, 4,4-dimethyl-4,4-dimethyl-piperidineMFCD04037433NSC-1071164,4-dimethyl piperidineSCHEMBL188415SCHEMBL239429SCHEMBL5945963

이름 더 보기

4,4-디메틸피페리딘NSC 107116NISTC40453014,4-dimethylpiperidine - [D86696]4,4-Dimethylpiperidine hydrochloride4,4-dimethylpiperidine(SALTDATA: FREE)

SCHEMBL18049880SCHEMBL18049881DTXSID401934658S382NMD984,4-dimethylpiperidine, AldrichCPRAC8379AKOS004120672AB17027

데이터베이스 식별자

CAS: 4045-30-1
PubChem CID: 138100
DTXSID: DTXSID40193465
UNII: 8S382NMD98
EC Number: 810-568-9
Nikkaji: J313.897F

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 68

실험 및 물리화학적 성질

Kovats Retention Index882

물리화학적 성질

끓는 점: 145 · 145-146℃
밀도: 0.803 · 0.803±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.4489 · 1.4489 (589.3 nm 25℃)
인화점: 24.9 · 24.9±16.5℃
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 액체
산도 계수 (pKa): 10.71 · 10.71±0.10(Predicted)
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, 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.；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 CategoriesFlam. Liq. 3 (50%)；Skin Corr. 1B (100%)；STOT SE 3 (50%)

안전 데이터

ridadr: UN2735
HS 번호: 2933399990
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4,4-dimethylpiperidine (cas# 4045-30-1) is a useful reactant for the preparation of oral quinoline-based ALDH1A1 inhibitors as potential antitumor agents.