트랜스-2,5-디메틸피페라진

2,5-Dimethylpiperazine, trans-

HCID 220672CAS 2815-34-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@@H]1CN[C@@H](C)CN1
InChIKey: NSMWYRLQHIXVAP-OLQVQODUSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569845

이름 및 식별자

우선 이름: 2,5-Dimethylpiperazine, trans-
IUPAC: (2R,5S)-2,5-dimethylpiperazine
현지명: 트랜스-2,5-디메틸피페라진
영어명: trans-2,5-Dimethylpiperazine
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

trans-2,5-Dimethylpiperazine2815-34-1(2R,5S)-2,5-dimethylpiperazine(2S,5R)-2,5-DimethylpiperazinePiperazine, 2,5-dimethyl-, trans-R1QQJ26FS6Piperazine, 2,5-dimethyl-, (2R,5S)-rel-2,5-Dimethylpiperazine, meso-2,5-Dimethylpiperazine (trans)NSC-3708DTXSID90878851MESO-2,5-DIMETHYLPIPERAZINE

이름 더 보기

트랜스-2,5-디메틸피페라진TECRLtrans-2SRD5A2L2trans-2,5-Dimethylpi5-DiMethylpiperazine2,5-Dimethylpiperazine3-enoyl-CoA reductase-likeTRANS-2,5-DIMETHYLPYRAZINETrans-2,5-Dimethylpiperzine

NSC 37082,5-DIMETHYLPIPERAZINE, TRANS-REL-(2R,5S)-2,5-DIMETHYLPIPERAZINERefChem:444596DTXCID601016880629-352-9MFCD00070516(2S,5R)-2,5-DIMETHYL-PIPERAZINE

데이터베이스 식별자

CAS: 2815-34-1
PubChem CID: 220672
DTXSID: DTXSID90878851
UNII: R1QQJ26FS6
EC Number: 629-352-9
Nikkaji: J110.472A

물성

구조 계산 물성

XLogP: 0
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 62.9

물리화학적 성질

녹는점: 115 · 115-118 °C (lit.)
끓는 점: 162 · 162-165 °C (lit.)
밀도: 0.53 · 0.53
굴절률: 1.4628 · 1.4628 (estimate)
인화점: 137 °F · 137 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 50 g/100mL · 50g/100mL(20°C)
물리적 상태: powder to crystal
산도 계수 (pKa): 9.66 · 9.66(at 25℃)
색상: White to Orange to Green
생물학적 소스: rabbit
수용성: 50 g/100mL · 50g/100mL(20℃)
BRN: 79886 · 79886
InChI: 1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKey: NSMWYRLQHIXVAP-OLQVQODUSA-N
SMILES: C[C@H]1CN[C@H](C)CN1

화학적 성질

white to dark yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (97.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 1 (97.9%)

안전 데이터

wgk: 3
rtecs: TL5950000
ridadr: UN 2926 4.1/PG 2
HS 번호: 29335990
risk_code: 11-21-35-20/21/22-22-2017/11/21
hazard_code: F,Xn,C
safety_code: 16-27-36/37/39-7/9-45-33-26-36-7/8
포장분류: III
위험 등급: 4.1
Hazard Classifications: Acute Tox. 3 DermalFlam. Sol. 1
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야

용도trans-2,5-Dimethylpiperazine is a C-alkyl substituted piperazine used in the preparation of opioid receptor ligands as well as other biologically active compounds.

상·하류 제품 정보

상류 원료

공급사50 곳

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上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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