1-벤질-3-메틸피페라진

1-Benzyl-3-methylpiperazine

HCID 2727520CAS 3138-90-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CN(Cc2ccccc2)CCN1
InChIKey: QOFUDSPYJDXBOF-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: 1-Benzyl-3-methylpiperazine
IUPAC: 1-benzyl-3-methylpiperazine
현지명: 1-벤질-3-메틸피페라진
영어명: 3-Methyl-1-benzyl-piperazine
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

1-Benzyl-3-methylpiperazine3138-90-7DTXSID803694453-methyl-1-(phenylmethyl)piperazineRefChem:429884DTXCID90320481675-173-4MFCD015707961-Benzyl-3-methyl-piperazine3-Methyl-1-benzyl-piperazinerac 1-benzyl-3-methyl-piperazine4-Benzyl-2-methyl-piperazine

이름 더 보기

1-벤질-3-메틸피페라진2-METHYL-4-BENZYLPIPERAZINEN-1-BENZYL-3-METHYL-PIPERAZINE1-Benzyl-3-methylpiperazine,95%1-Benzyl-3-methyl-piperazine ,98%1-BENZYL-3-METHYL-PIPERAZINE (RAC)3-Methyl-1-(phenylMethyl)-piperazine

SCHEMBL1307820SCHEMBL11742027SCHEMBL28046989QOFUDSPYJDXBOF-UHFFFAOYSA-N2-methyl-4-(phenylmethyl)piperazineAB30833-methyl-1-(phenylmethyl) piperazineAKOS005255353

데이터베이스 식별자

CAS: 3138-90-7
PubChem CID: 2727520
DTXSID: DTXSID80369445
EC Number: 675-173-4

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 164

물리화학적 성질

끓는 점: 125 · 125-126℃/2mm
밀도: 0.991 · 0.991±0.06 g/cm3(Predicted)
용해도: 메탄올에 용해됨
물리적 상태: 크리스탈
산도 계수 (pKa): 9.31 · 9.31±0.40(Predicted)
색상: 하얀색
InChI: 1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey: QOFUDSPYJDXBOF-UHFFFAOYSA-N
SMILES: CC1CN(CCN1)Cc2ccccc2

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 6 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 29339900
risk_code: 25-20/21/22
hazard_code: Xi,T
safety_code: 45-24/25-23
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects