2-(4-페닐피페라진-1-일)에탄아민

2-(4-Phenylpiperazin-1-yl)ethan-1-amine

HCID 4742503CAS 21091-61-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCN1CCN(c2ccccc2)CC1
InChIKey: JQIZYQKCPLKROQ-UHFFFAOYSA-N
분자식: C12H19N3
평균 분자량: 205.3 g/mol
단동위원소 질량: 205.15789761

이름 및 식별자

우선 이름: 2-(4-Phenylpiperazin-1-yl)ethan-1-amine
IUPAC: 2-(4-phenylpiperazin-1-yl)ethanamine
현지명: 2-(4-페닐피페라진-1-일)에탄아민
영어명: 2-(4-PHENYLPIPERAZIN-1-YL)ETHANAMINE
분자식: C12H19N3
분자량: 205.3

이름 및 동의어

2-(4-phenylpiperazin-1-yl)ethan-1-amineRefChem:458299834-050-72-(4-phenylpiperazin-1-yl)ethanamine21091-61-2MFCD030303964-PHENYL-1-PIPERAZINEETHANAMINE[2-(4-phenylpiperazin-1-yl)ethyl]amine1-(2-Aminoethyl)-4-phenylpiperazine4-PHENYL-1-PIPERAZINE ETHANAMINESCHEMBL658968F2187-2219

이름 더 보기

2-(4-페닐피페라진-1-일)에탄아민OTAVA-BB 70206903961-Piperazineethanamine, 4-phenyl-2-(4-PHENYL-PIPERAZIN-1-YL)-ETHYLAMINE2-(4-phenylpiperazin-1-yl)ethanamine HCl

SCHEMBL7413202SCHEMBL106845654-phenylpiperazin-1-ylethylamineDTXSID20406308JQIZYQKCPLKROQ-UHFFFAOYSA-NHMS5190I15ALBB-0210572-(4-Phenyl-1-piperazinyl)ethanamine

데이터베이스 식별자

CAS: 21091-61-2
PubChem CID: 4742503
DTXSID: DTXSID20406308
EC Number: 834-050-7

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 203 °C · 203 °C
끓는 점: 175 · 175-180 °C(Press: 0.5 Torr)
밀도: 1.058 · 1.058±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.11 · 10.11±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.