N-(2,6-디페닐메틸)-1-피페라진아세틸아민

Cvt-2738

HCID 2608606

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5294-61-1
표준 SMILES: Cc1cccc(C)c1NC(=O)CN1CCNCC1
InChIKey: NJKRFQIWDJSYOK-UHFFFAOYSA-N
분자식: C14H21N3O
평균 분자량: 247.34 g/mol
단동위원소 질량: 247.16846229

이름 및 식별자

우선 이름: Cvt-2738
IUPAC: N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide
현지명: N-(2,6-디페닐메틸)-1-피페라진아세틸아민
영어명: N-(2,6-Diphenylmethyl)-1-piperazine acetylamine
분자식: C14H21N3O
분자량: 247.34

이름 및 동의어

5294-61-1N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamideCVT-27381-Piperazineacetamide, N-(2,6-dimethylphenyl)-1-Piperazineaceto-2',6'-xylidideN-(2,6-dimethylphenyl)-2-piperazinylacetamideNYS3I6283HRS-94287CVT 27384-((2,6-Dimethylphenyl)aminocarbonylmethyl)piperazineEC 610-916-84-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine

이름 더 보기

N-(2,6-디페닐메틸)-1-피페라진아세틸아민RZ-2RS 94287UNII-NYS3I6283HRANOLAZINE MOMOAMIDERanolazine impurity G1-piperazin acetylamineCVT-2738, 10 mM in DMSORanolazine Related CoMpound C

2-(1-Piperazinyl)-N-(2,6-dimethylphenyl)acetamide (dmpipa)RefChem:580095610-916-8n-(2,6-dimethylphenyl)-1-piperazineacetamideN-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamideMFCD06384973N-(2,6-Diphenylmethyl)-1-piperazine acetylamineMLS000567347

데이터베이스 식별자

CAS: 5294-61-1
PubChem CID: 2608606
DTXSID: DTXSID60967408
ChEMBL: CHEMBL1346682
UNII: NYS3I6283H
EC Number: 610-916-8
Nikkaji: J2.767.326K

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 44.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 266

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Ranolazine

물리화학적 성질

녹는점: 110 · 110-112°C
끓는 점: 411.2 · 411.2±45.0 °C(Predicted)
밀도: 1.101 · 1.101±0.06 g/cm3(Predicted)
증기압: 0 · 0-0Pa at 20-25℃
저장 조건: -20 °C · -20°C Freezer
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 14.62 · 14.62±0.70(Predicted)
물리적 상태: 결정성 분말
색상: 라이트 그레이
주요 응용: 제약
InChI: 1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)/p+2
InChIKey: NJKRFQIWDJSYOK-UHFFFAOYSA-N
SMILES: [N+H]2(CC[N+H2]CC2)CC(=O)Nc1c(cccc1C)C
LogP: 0.74 at · 0.74 at 20℃ and pH12

화학적 성질

Pale Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.