2,5-디메틸피롤리딘

2,5-Dimethylpyrrolidine

HCID 96034

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3378-71-0
표준 SMILES: CC1CCC(C)N1
InChIKey: ZEBFPAXSQXIPNF-UHFFFAOYSA-N
분자식: C6H13N
평균 분자량: 99.17 g/mol
단동위원소 질량: 99.10479942

이름 및 식별자

우선 이름: 2,5-Dimethylpyrrolidine
IUPAC: 2,5-dimethylpyrrolidine
현지명: 2,5-디메틸피롤리딘
영어명: 2,5-Dimethylpyrrolidine
분자식: C6H13N
분자량: 99.17

이름 및 동의어

2,5-Dimethylpyrrolidine3378-71-0Pyrrolidine, 2,5-dimethyl-EINECS 222-178-0UNII-C6EG1921F4C6EG1921F4DTXSID80955362NSC 49109NSC-49109RefChem:82975DTXCID808928092,5-DIMETHYL-1H-PYRROLIDINE

이름 더 보기

2,5-디메틸피롤리딘AKOS BBS-00003116TIMTEC-BB SBB0043702,5-Dimethylpyrrolidine97%2,5-DIMETHYLPYRROLIDINE 99%2,5-dimethylpyrrolidine,mixtureofcisandtrans2,5-Dimethylpyrrolidine, mixture of cis<2,5-Dimethylpyrrolidine,98%,mixture of cis and trans2,5-Dimethylpyrrolidine, mixture of cis/trans isomers

222-178-0ZEBFPAXSQXIPNF-UHFFFAOYSA-N2,5-dimethyl-pyrrolidineMFCD00005254(2S,5S)-2,5-dimethyl-pyrrolidinetrans-2,5-dimethyl-pyrrolidinecis-2,5-dimethyl-pyrrolidinetrans-2,5-dimethylpyrrolidine

데이터베이스 식별자

CAS: 3378-71-0
PubChem CID: 96034
DTXSID: DTXSID80955362
EC Number: 222-178-0
Nikkaji: J205.465E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 53.2

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 105 · 105-106 °C(lit.)
밀도: 0.81 g/mL · 0.81 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4299(lit.)
인화점: 45 °F · 45 °F
저장 조건: Flammables area
산도 계수 (pKa): 11.36 · 11.36±0.10(Predicted)
물리적 상태: liquid
InChI: 1S/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3
InChIKey: ZEBFPAXSQXIPNF-UHFFFAOYSA-N
SMILES: CC1CCC(C)N1
NIST: 2 · 2,5-Dimethyl-pyrrolidine(3378-71-0)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.