1-((피롤리딘-1-카르보닐)메틸)피페라진

1-((Pyrrolidine-1-carbonyl)methyl)piperazine

HCID 100614CAS 39890-45-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CN1CCNCC1)N1CCCC1
InChIKey: KYBCXTTWIOZBNR-UHFFFAOYSA-N
분자식: C10H19N3O
평균 분자량: 197.28 g/mol
단동위원소 질량: 197.15281223

이름 및 식별자

우선 이름: 1-((Pyrrolidine-1-carbonyl)methyl)piperazine
IUPAC: 2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
현지명: 1-((피롤리딘-1-카르보닐)메틸)피페라진
영어명: 1-((Pyrrolidine-1-carbonyl)methyl)piperazine
분자식: C10H19N3O
분자량: 197.28

이름 및 동의어

1-((Pyrrolidine-1-carbonyl)methyl)piperazineEINECS 254-677-4DTXSID70192926NSC 3307481-[(pyrrolidine-1-carbonyl)methyl]piperazineRefChem:418919DTXCID10115417254-677-439890-45-41-(Pyrrolidinocarbonylmethyl)piperazine2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone1-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine

이름 더 보기

1-((피롤리딘-1-카르보닐)메틸)피페라진TIMTEC-BB SBB005547RARECHEM AH CK 0169Cinepazide Impurity BLABOTEST-BB LT00233248Cinepazide Impurities11Cinepazide Impurities1399Piperazino-1-acetylpyrrolidinePIPERAZINOACETIC ACID-PYRROLIDIDE

2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-oneMFCD000059682-Piperazin-1-yl-1-pyrrolidin-1-yl-ethanoneCinepazide Impurity E2-piperazin-1-yl-1-pyrrolidin-1-ylethanone1-(Pyrrolidinecarbonylmethyl)piperazineNSC-330748Pyrrolidine, 1-(1-piperazinylacetyl)-

데이터베이스 식별자

CAS: 39890-45-4
PubChem CID: 100614
DTXSID: DTXSID70192926
ChEMBL: CHEMBL442202
UNII: P967U9WX3A
EC Number: 254-677-4
Nikkaji: J236.363A

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 35.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 75 °C · 75 °C
끓는 점: 356.2 · 356.2±27.0 °C(Predicted)
밀도: 1.092 · 1.092±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 9.02 · 9.02±0.10(Predicted)

화학적 성질

Colorless to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.