피페라진-1-카르복실산디메틸아미드

n,n-Dimethylpiperazine-1-carboxamide

HCID 712909CAS 41340-78-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)C(=O)N1CCNCC1
InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
분자식: C7H15N3O
평균 분자량: 157.21 g/mol
단동위원소 질량: 157.1215121

이름 및 식별자

우선 이름: n,n-Dimethylpiperazine-1-carboxamide
IUPAC: N,N-dimethylpiperazine-1-carboxamide
현지명: 피페라진-1-카르복실산디메틸아미드
영어명: Piperazine-1-carboxylic acid dimethylamide
분자식: C7H15N3O
분자량: 157.21

이름 및 동의어

n,n-dimethylpiperazine-1-carboxamide41340-78-7DTXSID50351897RefChem:359406DTXCID30302963Piperazine-1-carboxylic acid dimethylamideMFCD01050443N,N-dimethyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N,N-dimethyl-piperazine-1-carboxylic acid dimethyl amideN,N-dimethylpiperazinylcarboxamideHMS1551O20

이름 더 보기

피페라진-1-카르복실산디메틸아미드AKOS BBS-00005897CBI-BB ZERO/006038TIMTEC-BB SBB0025831-(Dimethylcarbamoyl)piperazinePiperazine-1-carboxylic acid dimet1-Piperazinecarboxamide,N,N-dimethyl-(9CI)

AKOS002245260piperazine carboxylic acid dimethylamideA1AKBPiperazine-1-carboxylic acid, dimethylamideCS-0151344Z270760338BCP186821-Piperazinecarboxamide,N,N-dimethyl-

데이터베이스 식별자

CAS: 41340-78-7
PubChem CID: 712909
DTXSID: DTXSID50351897
ChEMBL: CHEMBL1616670
EC Number: 674-590-9

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 35.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 141

물리화학적 성질

끓는 점: 79 · 79-80°C/0.2mm
밀도: 1.058 · 1.058±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 8.55 · 8.55±0.10(Predicted)
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
SMILES: N1(C(N(C)C)=O)CCNCC1

화학적 성질

White low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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.