1-아미노-4-메틸피페라진이염화물일수화물

4-Methylpiperazin-1-ylamine dihydrochloride hydrate

HCID 198221CAS 40675-60-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(N)CC1.Cl.Cl
InChIKey: MIQKQAFRWSMHEI-UHFFFAOYSA-N
분자식: C5H15Cl2N3
평균 분자량: 188.1 g/mol
단동위원소 질량: 187.0643029

이름 및 식별자

우선 이름: 4-Methylpiperazin-1-ylamine dihydrochloride hydrate
IUPAC: 4-methylpiperazin-1-amine;dihydrochloride
현지명: 1-아미노-4-메틸피페라진이염화물일수화물
영어명: 1-Amino-4-methylpiperazine dihydrochloride monohydrate
분자식: C5H14ClN3
분자량: 151.64

이름 및 동의어

4-Methylpiperazin-1-ylamine dihydrochloride hydrateRefChem:525679255-031-440675-60-34-methylpiperazin-1-amine dihydrochloridePiperazine, 1-amino-4-methyl-, dihydrochloride1-Amino-4-methylpiperazine dihydrochloride4-methylpiperazin-1-amine;dihydrochloride1-Amino-4-methylpiperazine dihydrochloride monohydrateEINECS 255-031-41-Piperazinamine, 4-methyl-, dihydrochlorideorb3029896

이름 더 보기

1-아미노-4-메틸피페라진이염화물일수화물4-methyl-1-piperazinamindihydrochloride1-amino-4-methylpiperazinedihydrochloride1-amino-4-methyl-piperazindihydrochloridehydron:4-methylpiperazin-1-amine:dichloride4-METHYLPIPERAZINOAMINE DIHYDROCHLORIDE MONOHYDRATE1-AMINO-4-METHYLPIPERAZINE DIHYDROCHLORIDE, 1-HYDRATE1-Amino-4-methylpiperazine monohydrate dihydrochloride

SCHEMBL1700097DTXSID40193662Fr16602SBB090689MS-222061-methyl-4-aminopiperazine dihydrochlorideDB-2593724-methylpiperazinylamine, chloride, chloride

데이터베이스 식별자

CAS: 40675-60-3
PubChem CID: 198221
DTXSID: DTXSID40193662
EC Number: 255-031-4

물성

구조 계산 물성

극성 표면적: 32.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 66

물리화학적 성질

녹는점: 230 °C · 230 °C (dec.)(lit.)
물리적 상태: crystals
InChI: 1S/C5H13N3.2ClH.H2O/c1-7-2-4-8(6)5-3-7;;;/h2-6H2,1H3;2*1H;1H2
InChIKey: UPJWXQREHFVMHA-UHFFFAOYSA-N
SMILES: O.Cl.Cl.CN1CCN(N)CC1

화학적 성질

WHITE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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]；H319 (100%): Causes serious eye irritation [Warning 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+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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
rtecs: TK8062000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids