3-(4-Ethylpiperazin-1-yl)aniline

HCID 22330105CAS 314061-78-4

기본 정보

표준 SMILES: CCN1CCN(c2cccc(N)c2)CC1
InChIKey: XDXZLNGWAJYQDH-UHFFFAOYSA-N
분자식: C12H19N3
평균 분자량: 205.3 g/mol
단동위원소 질량: 205.15789762

이름 및 식별자

우선 이름: 3-(4-Ethylpiperazin-1-yl)aniline
IUPAC: 3-(4-ethylpiperazin-1-yl)aniline
영어명: 3-(4-Ethylpiperazin-1-yl)aniline
분자식: C12H19N3
분자량: 205.3

이름 및 동의어

3-(4-Ethylpiperazin-1-yl)aniline314061-78-4MFCD100329823-(4-ethylpiperazin-1-yl)-anilineSCHEMBL1126080SCHEMBL2016039TQR915SCHEMBL17728862SCHEMBL30647354XDXZLNGWAJYQDH-UHFFFAOYSA-N3-(4-Ethyl-1-piperazinyl)anilinePMA06178

이름 더 보기

Benzenamine, 3-(4-ethyl-1-piperazinyl)

3-(4-ethyl-piperazin-1-yl)-anilineAKOS009290099SB73868PS-20422SY155028DB-338901CS-0184345EN300-141266

데이터베이스 식별자

CAS: 314061-78-4
PubChem CID: 22330105
EC Number: 184-115-2

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 187

물리화학적 성질

끓는 점: 365.9 · 365.9±37.0 °C(Predicted)
밀도: 1.065 · 1.065±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.96 · 7.96±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.