4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine

HCID 25658249CAS 297172-18-0

기본 정보

표준 SMILES: Cn1cnnc1C1CCNCC1
InChIKey: LBGLYAJNIDZGGO-UHFFFAOYSA-N
분자식: C8H14N4
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.12184646

이름 및 식별자

우선 이름: 4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
IUPAC: 4-(4-methyl-1,2,4-triazol-3-yl)piperidine
영어명: 5-(Piperidin-4-yl)-4-methyl-4H-1,2,4-triazole
분자식: C8H14N4
분자량: 166.22

이름 및 동의어

297172-18-04-(4-methyl-4H-1,2,4-triazol-3-yl)piperidineDTXSID80649734RefChem:288138DTXCID606004844-(4-methyl-1,2,4-triazol-3-yl)piperidineMFCD09055373Piperidine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-4-(4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine4-(4-Methyl-4H-124-triazol-3-yl)piperidineSCHEMBL239491SCHEMBL4013880

이름 더 보기

4-(4-Methyl-4H-1,2,4-triazol-3-yl)4-(4-Methyl-1,2,4-triazol-3-yl)piperidi5-(Piperidin-4-yl)-4-methyl-4H-1,2,4-triazole4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine HBr4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine(SALTDATA: 2HCl H2O)4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine Dihydrochloride Hydrate

LBGLYAJNIDZGGO-UHFFFAOYSA-NAKOS009186576CCG-211294SB41441DS-14014SY101592EN300-31837C74525

데이터베이스 식별자

CAS: 297172-18-0
PubChem CID: 25658249
DTXSID: DTXSID80649734
EC Number: 857-158-6

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 42.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

끓는 점: 331 · 331.0±52.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.84 · 9.84±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 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 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

공급사40 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

연결된 노트

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