4-아미노-1-(테트라히드로피라닐)-1H-인다졸

1-(Oxan-2-yl)-1H-indazol-4-amine

HCID 44118232CAS 1053655-57-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cccc2c1cnn2C1CCCCO1
InChIKey: VXUKYBXQNXUXQM-UHFFFAOYSA-N
분자식: C12H15N3O
평균 분자량: 217.27 g/mol
단동위원소 질량: 217.12151211

이름 및 식별자

우선 이름: 1-(Oxan-2-yl)-1H-indazol-4-amine
IUPAC: 1-(oxan-2-yl)indazol-4-amine
현지명: 4-아미노-1-(테트라히드로피라닐)-1H-인다졸
영어명: 1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-4-amine
분자식: C12H15N3O
분자량: 217.27

이름 및 동의어

1053655-57-41-(oxan-2-yl)-1H-indazol-4-amineDTXSID60656784RefChem:226867DTXCID606075341-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-4-amine4-Amino-1-(tetrahydropyranyl)-1H-indazole1-(oxan-2-yl)indazol-4-amineMFCD106991681-tetrahydropyran-2-ylindazol-4-amineSCHEMBL168052AKOS005258468

이름 더 보기

4-아미노-1-(테트라히드로피라닐)-1H-인다졸1-(tetrahydro-2H-pyran-2-yl)-4-AMino-1H-indazole4-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole1H-Indazol-4-amine, 1-(tetrahydro-2H-pyran-2-yl)-

AS-673AS-67300SY308249DB-059337CS-01552444-Amino-1-(tetrahydro-2H-pyran-2-yl)indazoleD82108F217567

데이터베이스 식별자

CAS: 1053655-57-4
PubChem CID: 44118232
DTXSID: DTXSID60656784
EC Number: 802-627-2

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 53.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

물리화학적 성질

끓는 점: 428.7 · 428.7±35.0 °C(Predicted)
밀도: 1.36 · 1.36±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 3.22 · 3.22±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.